(Q105281620)

English

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

chemical compound

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instance of

type of chemical entity

0 references

1 reference

428.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₈O₂

0 references

canonical SMILES

O=C(OC1CCC2(C)C(CCC3C4CCC(C(C=CC(C)CC)C)C4(C)CCC32)C1)C

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isomeric SMILES

CC[C@H](C)/C=C/[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C

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found in taxon

Mizuhopecten yessoensis

1 reference

stated in

Marine sterols. VI(1). Sterols of the scallop, Patinopecten yessoensis

Identifiers

InChI

InChI=1S/C29H48O2/c1-7-19(2)8-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,19-20,22-27H,7,10-18H2,1-6H3/b9-8+/t19-,20-,22-,23-,24+,25+,26+,27-,28-,29-/m0/s1

0 references

InChIKey

UYLNVBMDYCAKQN-PEHSCQSYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105281620)

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

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