(Q105165995)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

410.354866092 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(20S)-Stigmasta-4,22-diene-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3aS,3bS,9aR,9bS,11aR)-1-[(2R,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one

1 reference

based on heuristic

inferred from InChI

4,22-Stigmastadiene-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₆O

0 references

canonical SMILES

O=C1C=C2CCC3C(CCC4(C)C(CCC34)C(C=CC(CC)C(C)C)C)C2(C)CC1

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isomeric SMILES

CC[C@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

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found in taxon

Diospyros rhodocalyx

1 reference

stated in

Constituents of Diospyros rhodocalyx

Inula anatolica

1 reference

stated in

Guaianolides from Inula anatolica

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/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8-/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1

0 references

InChIKey

MKGZDUKUQPPHFM-WIDNVVCESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105165995)

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

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