(Q104986610)

English

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

chemical compound

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instance of

type of chemical entity

0 references

subclass of

17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

1 reference

based on heuristic

inferred from SMILES

mass

428.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

7beta-Hydroxystigmasterol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₈O₂

0 references

canonical SMILES

OC1C=C2CC(O)CCC2(C)C3CCC4(C)C(CCC4C13)C(C=CC(CC)C(C)C)C

0 references

isomeric SMILES

CC[C@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@@H]3O)C(C)C

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found in taxon

Artabotrys hexapetalus

1 reference

stated in

New constituents from stems of Artabotrys uncinatus

Identifiers

InChI

InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h8-9,17-20,22-27,30-31H,7,10-16H2,1-6H3/b9-8-/t19-,20-,22+,23-,24+,25+,26+,27+,28+,29-/m1/s1

0 references

InChIKey

DPNNWDOFSGOYEK-IXDAVKGYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104986610)

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

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