hopan-22-ol (Q27104361)

Diplopterol (English)

2-[(3S,3aS,5aR,5bR,7aR,11aS,11bR,13aS,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]propan-2-ol

5 October 2016

stereoisomer of

2 references

2-[(3R,3aS,5aR,5bR,7aR,11aS,11bR,13aS,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]propan-2-ol

2 references

2-[(3S,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]propan-2-ol

2 references

2-[(3S,3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]propan-2-ol

1 reference

chemical formula

C₃₀H₅₂O

1 reference

Diplopterol (English)

5 October 2016

canonical SMILES

CC1(CCCC2(C1CCC3(C2CCC4C3(CCC5C4(CCC5C(C)(C)O)C)C)C)C)C

1 reference

Diplopterol (English)

5 October 2016

isomeric SMILES

C[C@]12CC[C@@H]([C@@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C(C)(C)O

1 reference

Diplopterol (English)

5 October 2016

found in taxon

Microgramma vaccinifolia

1 reference

Analysis of crude extracts and fractions of brazilian polypodiaceae by high-resolution gas chromatography-mass spectrometry. I. triterpenes

Phlebodium aureum

1 reference

Analysis of crude extracts and fractions of brazilian polypodiaceae by high-resolution gas chromatography-mass spectrometry. I. triterpenes

Asterella blumeana

1 reference

Three triterpenoids and one flavonoid from the liverwort Asterella blumeana grown in vitro

Azolla nilotica

2 references

Chemical constituents of aquatic fern Azolla nilotica

Chemical constituents of aquatic fern Azolla nilotica

Acetobacter pasteurianus

1 reference

Prokaryotic triterpenoids. 1. 3 beta-Methylhopanoids from Acetobacter species and Methylococcus capsulatus

Adiantum capillus-veneris

3 references

Fern Constituents: Six New Triterpenoid Alcohols from Adiantum capillus-veneris.

Fern constituents: triterpenoids from Adiantum capillus-veneris

Fern Constituents: Triterpenoids from Adiantum capillus-veneris.

Adiantum raddianum

1 reference

Fern Constituents: Adiantum cuneatum. III. Four New Triterpenoids,4,23-Bisnor-3,4-secofilic-5(24)-en-3-al, 4,23-Bisnor-3,3-dimethoxy-3,4-secofilic-5(24)-ene, 7.BETA.,25-Epoxyfern-9(11)-en-8.ALPHA.-ol and 7.ALPHA.,8.ALPHA.-Epoxyfernan-25-ol.

Adiantum edgeworthii

2 references

Fern Constituents: Triterpenoids Isolated from the Leaves of Adiantum edgeworthii. Structures of 19.ALPHA.-Hydroxyadiantone and Fern-9(11)-en-25-oic Acid.

Fern Constituents: Triterpenoids Isolated from the Leaves of Adiantum edgeworthii. Structures of 19.ALPHA.-Hydroxyadiantone and Fern-9(11)-en-25-oic Acid.

Adiantum pedatum

1 reference

Fern Constituents: Triterpenoids Isolated from the Leaves of Adiantum pedatum. 23-Hydroxyfernene, Glaucanol A and filicenoic Acid.

Oeosporangium kuhnii

1 reference

Fern constituents: Cheilanthenetriol and cheilanthenediol. Sesterterpenoids isolated from the leaves of aleuritopteris khunii.

Asterella angusta

1 reference

Phytochemical Investigation of Shilajit

Cheiropleuria bicuspis

1 reference

Fern constituents: Triterpenoids isolated from the leaves of Cheiropleuria bicuspis.

Alsophila lepifera

1 reference

Fern Constituents: Triterpenoids Isolated from Leaflets of Cyathea lepife.

Cyathea lepifera

1 reference

Fern Constituents: Triterpenoids Isolated from Leaflets of Cyathea lepife.

Davallia mariesii

2 references

Fern constituents: Two new triterpenoid hydrocarbons, hop-16-ene and isohop-22(29)-ene, isolated from Davallia mariesii.

Fern constituents: Two new triterpenoid hydrocarbons, hop-16-ene and isohop-22(29)-ene, isolated from Davallia mariesii.

Dryopteris crassirhizoma

1 reference

Seasonal fluctuation of triterpenoid constituents from dried leaflets of dryopteris crassirhizoma

Fossombronia alaskana

2 references

Fossombronia pusilla

2 references

Lady Gagae

2 references

Leaf surface terpenoids of the tree fernLophosoria quadripinnata

Leaf surface terpenoids of the tree fernLophosoria quadripinnata

Oleandra wallichii

1 reference

Fern Constituents : Triterpenoids from Oleandra wallichii

Plagiochasma rupestre

2 references

Sesquiterpenoids, hopanoids and bis(bibenzyls) from the Argentine liverwort Plagiochasma rupestre

Sesquiterpenoids, hopanoids and bis(bibenzyls) from the Argentine liverwort Plagiochasma rupestre

Plagiogyria glauca

1 reference

Chemical and Chemotaxonomical Studies of Filices. LXX. Chemical Studies on the Constituents of Plagiogyria formosana, P. adnata, P. dunnii and P. stenoptera

Lepisorus contortus

2 references

Bioactive compounds from the fern Lepisorus contortus

Bioactive compounds from the fern Lepisorus contortus

Lindsaea trichomanoides

1 reference

Fern Constituents: Adiantum cuneatum. III. Four New Triterpenoids,4,23-Bisnor-3,4-secofilic-5(24)-en-3-al, 4,23-Bisnor-3,3-dimethoxy-3,4-secofilic-5(24)-ene, 7.BETA.,25-Epoxyfern-9(11)-en-8.ALPHA.-ol and 7.ALPHA.,8.ALPHA.-Epoxyfernan-25-ol.

Alsophila gigantea

1 reference

Studies on a Fern, Cyathea gigantea

Davallia bullata

1 reference

Fern constituents: Two new triterpenoid hydrocarbons, hop-16-ene and isohop-22(29)-ene, isolated from Davallia mariesii.

Davallia trichomanoides

1 reference

Fern constituents: Two new triterpenoid hydrocarbons, hop-16-ene and isohop-22(29)-ene, isolated from Davallia mariesii.

Goniophlebium formosanum

1 reference

Fern constituents: pentacyclic triterpenoids isolated from Polypodium niponicum and P. formosanum

Goniophlebium niponicum

1 reference

Fern constituents: pentacyclic triterpenoids isolated from Polypodium niponicum and P. formosanum

Alsophila spinulosa

1 reference

Fern Constituents: Triterpenoids Isolated from Leaflets of Cyathea spinulosa.

Adiantum abscissum

1 reference

Fern Constituents: Adiantum cuneatum. III. Four New Triterpenoids,4,23-Bisnor-3,4-secofilic-5(24)-en-3-al, 4,23-Bisnor-3,3-dimethoxy-3,4-secofilic-5(24)-ene, 7.BETA.,25-Epoxyfern-9(11)-en-8.ALPHA.-ol and 7.ALPHA.,8.ALPHA.-Epoxyfernan-25-ol.

Identifiers

InChI

InChI=1S/C30H52O/c1-25(2)15-9-16-28(6)22(25)14-19-30(8)24(28)11-10-23-27(5)17-12-20(26(3,4)31)21(27)13-18-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22-,23+,24+,27-,28-,29+,30+/m0/s1

1 reference

Diplopterol (English)

PNJBOAVCVAVRGR-UDCAXGDQSA-N

5 October 2016

InChIKey

2 references

Diplopterol (English)

5 October 2016

PNJBOAVCVAVRGR-UDCAXGDQSA-N

ChEBI release 2020-09-01

CAS Registry Number

1721-59-1

1 reference

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=1721-59-1

1 reference

Hopan-22-ol (English)

5 October 2016

1 reference

Diplopterol (English)

5 October 2016

ChEBI ID

36484

mapping relation type

2 references

hopan-22-ol (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C30H52O/c1-25(2)15-9-16-28(6)22(25)14-19-30(8)24(28)11-10-23-27(5)17-12-20(26(3,4)31)21(27)13-18-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22-,23+,24+,27-,28-,29+,30+/m0/s1

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

CHEMBL2448591 (English)

5 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

2 references