(Q76386880)

English

cholesta-5,7,8(14),22E-tetraen-3-one

chemical compound

In more languages

Statements

type of chemical entity

0 references

9a,11a-dimethyl-1-(6-methylhept-3-en-2-yl)-1H,2H,3H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one

1 reference

based on heuristic

inferred from SMILES

378.292265836 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(9R,10R,13R,17R)-10,13-dimethyl-17-[(E,2S)-6-methylhept-3-en-2-yl]-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₈O

0 references

canonical SMILES

O=C1C=C2C=CC3=C4CCC(C(C=CCC(C)C)C)C4(C)CCC3C2(C)CC1

0 references

isomeric SMILES

C[C@H](/C=C/CC(C)C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@@]4([C@H]3CC[C@]12C)C

0 references

Daldinia concentrica

1 reference

Chemical constituents of the ascomycete Daldinia concentrica

Lamellodysidea herbacea

1 reference

Marine Sterols. XXII. Occurrence of 3-Oxo-4,6,8(14)-triunsaturated Steroids in the Sponge Dysidea herbacea.

Identifiers

InChI=1S/C27H38O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8-10,17-19,23,25H,7,11-16H2,1-5H3/b8-6+/t19-,23-,25+,26+,27-/m1/s1

0 references

AJRNPFZYKICTEM-AQAVSRJYSA-N

0 references

1 reference

matched by identifier from

AJRNPFZYKICTEM-AQAVSRJYSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C27H38O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8-10,17-19,23,25H,7,11-16H2,1-5H3/b8-6+/t19-,23-,25+,26+,27-/m1/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

AJRNPFZYKICTEM-AQAVSRJYSA-N

1 reference

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

30 June 2018

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