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CHEBI:72660 - ent-cassa-12,15-dien-3β-ol

Default Structure
ChEBI IDCHEBI:72660
ChEBI Nameent-cassa-12,15-dien-3β-ol
Stars
ASCII Nameent-cassa-12,15-dien-3beta-ol
DefinitionA diterpenoid that is ent-cassa-12,15-diene in which the hydrogen at position 3β has been replaced by a hydroxy group.
Last Modified16 January 2018
SubmitterSteve
DownloadsMolfile
FormulaC20H32O
Net Charge0
Average Mass288.475
Monoisotopic Mass288.24532
SMILES[H][C@@]12CC=C(C=C)[C@@H](C)[C@@]1([H])CC[C@]1([H])C(C)(C)[C@H](O)CC[C@@]21C
InChIInChI=1S/C20H32O/c1-6-14-7-9-16-15(13(14)2)8-10-17-19(3,4)18(21)11-12-20(16,17)5/h6-7,13,15-18,21H,1,8-12H2,2-5H3/t13-,15-,16-,17-,18-,20+/m1/s1
InChIKeyBHRUCLDHUXEJQR-PHVPSJSMSA-N
ChEBI Ontology
Outgoing Relation(s)
ent-cassa-12,15-dien-3β-ol (CHEBI:72660) has parent hydride ent-cassa-12,15-diene (CHEBI:50060)
ent-cassa-12,15-dien-3β-ol (CHEBI:72660) is a diterpenoid (CHEBI:23849)
ent-cassa-12,15-dien-3β-ol (CHEBI:72660) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(2R,4aS,4bR,8S,8aR,10aS)-7-ethenyl-1,1,4a,8-tetramethyl-1,2,3,4,4a,4b,5,8,8a,9,10,10a-dodecahydrophenanthren-2-ol
Synonyms  Source
(2R,4aS,4bR,8S,8aR,10aS)-1,1,4a,8-tetramethyl-7-vinyl-1,2,3,4,4a,4b,5,8,8a,9,10,10a-dodecahydrophenanthren-2-olIUPAC
3α-hydroxy-ent-cassa-12,15-dieneChEBI