(Q105198057)

English

1-((3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

316.240230264 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1-[(3S,8R,9R,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

1 reference

based on heuristic

inferred from InChIKey

1 reference

C₂₁H₃₂O₂

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canonical SMILES

O=C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C

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isomeric SMILES

CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C

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found in taxon

Botrytis cinerea

1 reference

stated in

Biotransformation of testosterone and pregnenolone catalyzed by the fungus Botrytis cinerea

Zanthoxylum integrifoliolum

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stated in

Chemical constituents and biological activities of the fruit of Zanthoxylum integrifoliolum

Identifiers

InChI

InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21-/m0/s1

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InChIKey

ORNBQBCIOKFOEO-YQUGOWONSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ORNBQBCIOKFOEO-YQUGOWONSA-N

1 reference

(Q105198057)

1-((3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone

Statements

Identifiers

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