(Q105382968)

English

(3S,8S,9S,10R,13R,14S,17R)-17-[(2S,3E,5S)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

chemical compound

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instance of

type of chemical entity

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subclass of

17-(5-ethyl-6-methylhepta-3,6-dien-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

based on heuristic

inferred from SMILES

(8S,9R,10R,13R,14S)-17-(5-ethyl-6-methylhepta-3,6-dien-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

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

(8alpha,22E,24S)-Stigmasta-5,22,25-trien-3beta-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,3Z,5S)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

based on heuristic

inferred from InChI

Stigmasta-5,22E,25-trien-3beta-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₆O

0 references

canonical SMILES

OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C=CC(C(=C)C)CC)C)C2(C)CC1

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isomeric SMILES

C=C(C)[C@H](/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CC

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found in taxon

Ajuga reptans

1 reference

stated in

29-NORSENGOSTERONE AND 29-NORCYASTERONE, NEW C-28 PHYTOECDYSTEROIDS FROMAJUGA REPTANS(LABIATAE)

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/h8-10,20-21,23-27,30H,2,7,11-18H2,1,3-6H3/b9-8+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m0/s1

0 references

InChIKey

ZTJFINKUHDHOSM-JIABODFNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZTJFINKUHDHOSM-JIABODFNSA-N

(Q105382968)

(3S,8S,9S,10R,13R,14S,17R)-17-[(2S,3E,5S)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

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Identifiers

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