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

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ChEBI Name ent-cassa-12,15-dien-3β-ol ChEBI ID CHEBI:72660 ChEBI ASCII Name ent-cassa-12,15-dien-3beta-ol Definition A diterpenoid that is ent-cassa-12,15-diene in which the hydrogen at position 3β has been replaced by a hydroxy group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H32O Net Charge 0 Average Mass 288.46750 Monoisotopic Mass 288.24532 InChI InChI=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 InChIKey BHRUCLDHUXEJQR-PHVPSJSMSA-N SMILES [H][C@]12CC[C@]3([H])C(C)(C)[C@H](O)CC[C@@]3(C)[C@]1([H])CC=C(C=C)[C@H]2C ChEBI Ontology Outgoing 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 Sources (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-ol IUPAC 3α-hydroxy-ent-cassa-12,15-diene ChEBI Last Modified 16 January 2018