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CHEBI:72661 - 11-oxo-ent-cassa-12,15-dien-2β,3β-diol

ChEBI IDCHEBI:72661
ChEBI Name11-oxo-ent-cassa-12,15-dien-2β,3β-diol
Stars
ASCII Name11-oxo-ent-cassa-12,15-dien-2beta,3beta-diol
DefinitionA diterpenoid that is 11-oxo-ent-cassa-12,15-diene carrying two additional α-hydroxy substituents at positions 2 and 3.
Last Modified22 August 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
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)[C@H](O)C[C@@]21C
InChIInChI=1S/C20H30O3/c1-6-12-9-14(21)17-13(11(12)2)7-8-16-19(3,4)18(23)15(22)10-20(16,17)5/h6,9,11,13,15-18,22-23H,1,7-8,10H2,2-5H3/t11-,13-,15-,16-,17+,18-,20-/m1/s1
InChIKeyZFELGQUOUOELBZ-YHDXIDRWSA-N
ChEBI Ontology
Outgoing Relation(s)
11-oxo-ent-cassa-12,15-dien-2β,3β-diol (CHEBI:72661) has parent hydride ent-cassa-12,15-diene (CHEBI:50060)
11-oxo-ent-cassa-12,15-dien-2β,3β-diol (CHEBI:72661) is a diterpenoid (CHEBI:23849)
11-oxo-ent-cassa-12,15-dien-2β,3β-diol (CHEBI:72661) is a enone (CHEBI:51689)
11-oxo-ent-cassa-12,15-dien-2β,3β-diol (CHEBI:72661) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1S,4aR,4bR,6R,7S,8aS,10aR)-6,7-dihydroxy-2-ethenyl-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-2β,3β-diolChEBI
2α,3α-dihydroxy-11-keto-ent-cassa-12,15-dieneChEBI
2α,3α-dihydroxy-11-oxo-ent-cassa-12,15-dieneChEBI
(1S,4aR,4bR,6R,7S,8aS,10aR)-6,7-dihydroxy-1,4b,8,8-tetramethyl-2-vinyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydrophenanthren-4(1H)-oneIUPAC