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CHEBI:72658 - 11-oxo-ent-cassa-12,15-dien-3α-ol

ChEBI IDCHEBI:72658
ChEBI Name11-oxo-ent-cassa-12,15-dien-3α-ol
Stars
ASCII Name11-oxo-ent-cassa-12,15-dien-3alpha-ol
DefinitionA diterpenoid that is the 3α-hydroxy-11-oxo derivative of ent-cassa-12,15-diene.
Last Modified28 February 2013
SubmitterSteve
DownloadsMolfile
FormulaC20H30O2
Net Charge0
Average Mass302.458
Monoisotopic Mass302.22458
SMILES[H][C@@]12C(=O)C=C(C=C)[C@@H](C)[C@@]1([H])CC[C@]1([H])C(C)(C)[C@H](O)CC[C@@]21C
InChIInChI=1S/C20H30O2/c1-6-13-11-15(21)18-14(12(13)2)7-8-16-19(3,4)17(22)9-10-20(16,18)5/h6,11-12,14,16-18,22H,1,7-10H2,2-5H3/t12-,14-,16-,17-,18+,20-/m1/s1
InChIKeyYIBIQGNVXNLHOE-MFKVJZQJSA-N
ChEBI Ontology
Outgoing Relation(s)
11-oxo-ent-cassa-12,15-dien-3α-ol (CHEBI:72658) has parent hydride ent-cassa-12,15-diene (CHEBI:50060)
11-oxo-ent-cassa-12,15-dien-3α-ol (CHEBI:72658) is a diterpenoid (CHEBI:23849)
11-oxo-ent-cassa-12,15-dien-3α-ol (CHEBI:72658) is a enone (CHEBI:51689)
11-oxo-ent-cassa-12,15-dien-3α-ol (CHEBI:72658) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1S,4aR,4bR,7R,8aS,10aR)-2-ethenyl-7-hydroxy-1,4b,8,8-tetramethyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydrophenanthren-4(1H)-one
Synonyms  Source
11-keto-ent-cassa-12,15-dien-3α-olChEBI
(1S,4aR,4bR,7R,8aS,10aR)-7-hydroxy-1,4b,8,8-tetramethyl-2-vinyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydrophenanthren-4(1H)-oneIUPAC
3α-hydroxy-11-keto-ent-cassa-12,15-dieneChEBI
3α-hydroxy-11-oxo-ent-cassa-12,15-dieneChEBI