(Q105168385)

English

(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylhept-6-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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Statements

instance of

type of chemical entity

0 references

subclass of

17-(5-ethyl-6-methylhept-6-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,7R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylhept-6-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 InChI

chemical formula

C₂₉H₄₈O₂

0 references

canonical SMILES

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

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isomeric SMILES

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

0 references

found in taxon

Codium decorticatum

1 reference

stated in

Sterols from marine green alga Codium decorticatum

Momordica charantia

1 reference

stated in

Sterols from the Stems of Momordica charantia

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/h17,19-20,22-27,30-31H,2,7-16H2,1,3-6H3/t19-,20-,22+,23-,24+,25+,26-,27+,28+,29-/m1/s1

0 references

InChIKey

MNIVAEKDEDQBEP-GDDJFQTCSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

KNApSAcK ID

C00060059

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

MNIVAEKDEDQBEP-GDDJFQTCSA-N

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

31 December 2022

InChIKey

MNIVAEKDEDQBEP-GDDJFQTCSA-N

based on heuristic

InChIKey match

(Q105168385)

(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylhept-6-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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Identifiers

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