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

ChEBI IDCHEBI:156165
ChEBI Name(6beta,22E)-6-Hydroxystigmasta-4,22-dien-3-one
Stars
Submittermwilliams
DownloadsMolfile
FormulaC29H46O2
Net Charge0
Average Mass426.685
Monoisotopic Mass426.34978
SMILESCCC(/C=C/C(C)C1CCC2C3CC(O)C4=CC(=O)CCC4(C)C3CCC12C)C(C)C
InChIInChI=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+
InChIKeyFFKIQLXJMQUBQZ-CMDGGOBGSA-N
ChEBI Ontology
Outgoing Relation(s)
(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