cabraleadiol monoacetate (Q27138613)

[(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Cabraleadiol 3-acetate (English)

7 October 2016

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

[(3R,5R,8R,9R,10R,13R,14R,17S)-17-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₅₄O₄

1 reference

Cabraleadiol 3-acetate (English)

7 October 2016

canonical SMILES

CC(=O)OC1CCC2(C3CCC4C(CCC4(C3(CCC2C1(C)C)C)C)C5(CCC(O5)C(C)(C)O)C)C

1 reference

Cabraleadiol 3-acetate (English)

7 October 2016

isomeric SMILES

CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@@H]4[C@H](CC[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)[C@@]5(CC[C@H](O5)C(C)(C)O)C)C

1 reference

Dammarane triterpenes and pregnane steroids from Aglaia lawii and A. tomentosa

Cabraleadiol 3-acetate (English)

7 October 2016

3 references

Dammarane triterpenes and pregnane steroids from Aglaia lawii and A. tomentosa

Dammarane triterpenes and pregnane steroids from Aglaia lawii and A. tomentosa

Commiphora dalzielii

3 references

Dammarane Triterpenes from the stem bark of Commiphora Dalzielii

Dammarane Triterpenes from the stem bark of Commiphora Dalzielii

Dammarane Triterpenes from the stem bark of Commiphora Dalzielii

Aglaia lawii

2 references

A pregnane steroid from Aglaia lawii and structure confirmation of cabraleadiol monoacetate by X-ray crystallography

A pregnane steroid from Aglaia lawii and structure confirmation of cabraleadiol monoacetate by X-ray crystallography

Commiphora confusa

1 reference

Dammarane triterpenes from the resins of Commiphora confusa

Aglaia abbreviata

1 reference

Triterpenoids from Aglaia abbreviata and their cytotoxic activities.

Aglaia elaeagnoidea

1 reference

Triterpenoids from Aglaia abbreviata and their cytotoxic activities.

Nothofagus pumilio

1 reference

Insect antifeedant compounds from Nothofagus dombeyi and N. pumilio.

Identifiers

InChI

InChI=1S/C32H54O4/c1-20(33)35-25-14-16-29(6)23(27(25,2)3)13-18-31(8)24(29)11-10-21-22(12-17-30(21,31)7)32(9)19-15-26(36-32)28(4,5)34/h21-26,34H,10-19H2,1-9H3/t21-,22+,23+,24-,25-,26+,29+,30-,31-,32+/m1/s1

1 reference

Cabraleadiol 3-acetate (English)

MYKPKZPRXSYQEQ-QCPMDXGFSA-N

7 October 2016

InChIKey

2 references

Cabraleadiol 3-acetate (English)

7 October 2016

ChEBI release 2020-09-01

1 reference

(3alpha,24S)-25-Hydroxy-20,24-epoxydammaran-3-yl acetate (English)

7 October 2016

2 references

Cabraleadiol 3-acetate (English)

matched by identifier from

7 October 2016

InChIKey

MYKPKZPRXSYQEQ-QCPMDXGFSA-N

Reaxys registry number

1442047

1 reference

cabraleadiol monoacetate (English)

7 October 2016

ChEBI ID

70273

mapping relation type

2 references

cabraleadiol monoacetate (English)