(Q104992021)

English

(5S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5alpha-Stigmasta-7,22-dien-3-one

1 reference

based on heuristic

inferred from SMILES

(1S,3aS,5aS,9aS,9bS,11aR)-1-(5-ethyl-6-methylhept-3-en-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one

1 reference

1 reference

1-[(3E)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one

1 reference

based on heuristic

inferred from SMILES

mass

410.354866092 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(5S,9R,10S,13R,14S,17R)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₆O

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canonical SMILES

O=C1CCC2(C)C3C(=CCC2C1)C4CCC(C(C=CC(CC)C(C)C)C)C4(C)CC3

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isomeric SMILES

CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

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found in taxon

Chrysophyllum africanum

1 reference

stated in

Fatty acid esters of triterpenoids and steroid glycosides from Gambeya africana.

Verbascum thapsus

1 reference

stated in

Sterones, iridoids and a sesquiterpene from Verbascum thapsus

Gambeya africana

1 reference

stated in

Fatty acid esters of triterpenoids and steroid glycosides from Gambeya africana.

Identifiers

InChI

InChI=1S/C29H46O/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/h8-9,11,19-22,25-27H,7,10,12-18H2,1-6H3/b9-8+/t20-,21+,22+,25-,26+,27+,28+,29-/m1/s1

0 references

InChIKey

DZUAZCZFSVNHEF-LMJWDVFBSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104992021)

(5S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Statements

Identifiers

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