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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 11-oxo-ent-cassa-12,15-dien-3α-ol
ChEBI ID CHEBI:72658
ChEBI ASCII Name 11-oxo-ent-cassa-12,15-dien-3alpha-ol
Definition A diterpenoid that is the 3α-hydroxy-11-oxo derivative of ent-cassa-12,15-diene.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H30O2
Net Charge 0
Average Mass 302.45100
Monoisotopic Mass 302.22458
InChI InChI=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
InChIKey YIBIQGNVXNLHOE-MFKVJZQJSA-N
SMILES [H][C@]12CC[C@]3([H])C(C)(C)[C@H](O)CC[C@@]3(C)[C@]1([H])C(=O)C=C(C=C)[C@H]2C
ChEBI Ontology
Outgoing 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 Sources
(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)-one IUPAC
11-keto-ent-cassa-12,15-dien-3α-ol ChEBI
3α-hydroxy-11-keto-ent-cassa-12,15-diene ChEBI
3α-hydroxy-11-oxo-ent-cassa-12,15-diene ChEBI
Last Modified
28 February 2013