CHEBI:156165 - (6beta,22E)-6-Hydroxystigmasta-4,22-dien-3-one

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (6beta,22E)-6-Hydroxystigmasta-4,22-dien-3-one
ChEBI ID CHEBI:156165
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C29H46O2
Net Charge 0
Average Mass 426.685
Monoisotopic Mass 426.34978
InChI InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h8-9,16,18-20,22-25,27,31H,7,10-15,17H2,1-6H3/b9-8+
InChIKey FFKIQLXJMQUBQZ-CMDGGOBGSA-N
SMILES OC1CC2C3C(C(CC3)C(C)/C=C/C(C(C)C)CC)(CCC2C4(C1=CC(=O)CC4)C)C
ChEBI Ontology
Outgoing (6beta,22E)-6-Hydroxystigmasta-4,22-dien-3-one (CHEBI:156165) has parent hydride stigmastane (CHEBI:26773)
(6beta,22E)-6-Hydroxystigmasta-4,22-dien-3-one (CHEBI:156165) is a steroid (CHEBI:35341)
IUPAC Name
17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one