(5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one (Q104946896)

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chemical compound

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Language	Label	Description	Also known as
English	(5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

24-Ethylcholestane-3-one

1 reference

based on heuristic

inferred from SMILES

Stigmastan-3-one

1 reference

based on heuristic

inferred from SMILES

17-(5-Ethyl-6-methylheptan-2-yl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

mass

414.38616622 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(5S,8S,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Stigmastan-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(5R,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₅₀O

0 references

canonical SMILES

O=C1CCC2(C)C(C1)CCC3C4CCC(C(C)CCC(CC)C(C)C)C4(C)CCC32

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isomeric SMILES

CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

0 references

found in taxon

Verbascum thapsus

1 reference

stated in

Sterones, iridoids and a sesquiterpene from Verbascum thapsus

Identifiers

InChI

InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-22,24-27H,7-18H2,1-6H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-/m1/s1

0 references

InChIKey

BVVFRHKBULZQCQ-ASZVKTMPSA-N

0 references

PubChem CID

179350

1 reference

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

 

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