Chem
J-GLOBAL ID：200907018101581558   Nikkaji number：J489.481B

3β,12-Dihydroxyabieta-8,11,13-trien-1-one

3β,12-ジヒドロキシアビエタ-8,11,13-トリエン-1-オン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C20H28O3
Molecular formula furigana： C20-H28-O3
Molecular weight： 316.441
InChI： InChI=1S/C20H28O3/c1-11(2)13-8-12-6-7-16-19(3,4)17(22)10-18(23)20(16,5)14(12)9-15(13)21/h8-9,11,16-17,21-22H,6-7,10H2,1-5H3/t16-,17-,20+/m0/s1
InChI key： MGNMRMCIMOAJTC-ABSDTBQOSA-N
SMILES： CC(C)c1cc2CC[C@H]3C(C)(C)[C@@H](O)CC(=O)[C@]3(C)c2cc1O
Systematic name  (3)：
  • 3β,12-ジヒドロキシアビエタ-8,11,13-トリエン-1-オン
  • (2S,4aS,10aS)-2,6-ジヒドロキシ-1,1,4a-トリメチル-7-(プロパン-2-イル)-1,2,3,4,4a,9,10,10a-オクタヒドロフェナントレン-4-オン
  • (2S,4aS,10aS)-2,6-dihydroxy-1,1,4a-trimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4-one
Other name (1)：
  • 3β,12-Dihydroxyabieta-8,11,13-trien-1-one
Thsaurus map：
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