3beta-O-trans-caffeoylbetulinic acid (Q27139003)

Pyracrenic acid (English)

(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

7 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3beta-O-cis-caffeoylbetulinic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₉H₅₄O₆

1 reference

Pyracrenic acid (English)

7 October 2016

canonical SMILES

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)O)C)C(=O)O

1 reference

Pyracrenic acid (English)

7 October 2016

isomeric SMILES

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)O)C)C(=O)O

1 reference

Lupane Triterpenoids of Salacia cordata

Pyracrenic acid (English)

7 October 2016

1 reference

Acer triflorum

1 reference

Studies on the Constituents of Aceraceae Plants. XII. Two New Diarylheptanoid Glycosides from Acer triflorum.

Chamaecrista greggii

1 reference

Cassanes and anthraquinones from Chamaecrista greggii

Melaleuca leucadendra

3 references

Biologically Active constituents of Melaleuca leucadendron: Inhibitors of Induced Histamine Release from Rat Mast Cells

Biologically Active constituents of Melaleuca leucadendron: Inhibitors of Induced Histamine Release from Rat Mast Cells

An hydrolysable tannin and accompanying polyphenols from Melaleuca leucadendron

Durio carinatus

2 references

Lignans and Triterpenes from the Bark ofDurio carinatusandDurio oxleyanus

Lignans and Triterpenes from the Bark ofDurio carinatusandDurio oxleyanus

Helicteres angustifolia

2 references

Cytotoxic triterpenoids from the root bark of Helicteres angustifolia

Pregnane, coumarin and lupane derivatives and cytotoxic constituents from Helicteres angustifolia

Berberis koreana

1 reference

Bioactivity-guided isolation of cytotoxic triterpenoids from the trunk of Berberis koreana

Betula maximowicziana

1 reference

Triterpenoids of the outer bark ofBetula maximowicziana

Betula pubescens

1 reference

Triterpene caffeates from bark of Betula pubescens

Ceriops tagal

2 references

Dammarane triterpenes from the hypocotyls and fruits of Ceriops tagal.

Chemical constituents and some biological activities of plants from the genus Ceriops

Pyracantha crenulata

1 reference

Studies on anti-inflammatory agents. V. A new anti-inflammatory constituent of Pyracantha crenulata roem

Ceriops decandra

1 reference

Chemical constituents and some biological activities of plants from the genus Ceriops

Identifiers

InChI

InChI=1S/C39H54O6/c1-23(2)25-14-19-39(34(43)44)21-20-37(6)26(33(25)39)10-12-30-36(5)17-16-31(35(3,4)29(36)15-18-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-9,11,13,22,25-26,29-31,33,40-41H,1,10,12,14-21H2,2-7H3,(H,43,44)/b13-9+/t25-,26+,29-,30+,31-,33+,36-,37+,38+,39-/m0/s1

1 reference

Pyracrenic acid (English)

MNUNUJQYFJZRHQ-VZLLCJDWSA-N

7 October 2016

InChIKey

2 references

Pyracrenic acid (English)

7 October 2016

ChEBI release 2020-09-01

1 reference

(3beta)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}lup-20(29)-en-28-oic acid (English)

7 October 2016

1 reference

Pyracrenic acid (English)

7 October 2016

ChEBI ID

70671

mapping relation type

1 reference

3beta-O-trans-caffeoylbetulinic acid (English)

7 October 2016

1 reference