(Q105276412)

English

[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z)-octadeca-9,12-dienoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadeca-9,12-dienoate

1 reference

based on heuristic

inferred from SMILES

mass

660.584531672 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3S,5R,9R,10S,13R,14R,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z)-octadeca-9,12-dienoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₆H₇₆O₂

0 references

canonical SMILES

O=C(OC1CCC2(C)C3C(=CCC2C1)C4CCC(C(C=CC(C)C(C)C)C)C4(C)CC3)CCCCCCCC=CCC=CCCCCC

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isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C)C1

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found in taxon

Fomitopsis pinicola

1 reference

stated in

Steroids from the fungus Fomitopsis pinicola

Ganoderma lucidum

1 reference

stated in

Secondary metabolites from Ganoderma lucidum and Spongiporus leucomallellus

Identifiers

InChI

InChI=1S/C46H76O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h12-13,15-16,24-25,27,35-39,41-43H,8-11,14,17-23,26,28-34H2,1-7H3/b13-12-,16-15-,25-24+/t36-,37+,38-,39-,41+,42-,43-,45-,46+/m0/s1

0 references

InChIKey

UOJOULYYDYIENL-HCAFHACDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UOJOULYYDYIENL-HCAFHACDSA-N

LIPID MAPS ID

LMST01031147

1 reference

InChIKey

UOJOULYYDYIENL-HCAFHACDSA-N

17 April 2021

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

(Q105276412)

[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z)-octadeca-9,12-dienoate

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