Chem
J-GLOBAL ID：200907060652782950   Nikkaji number：J1.149.706C

3β-Hydroxy-13-methoxytotara-8,11,13-triene-1-one

3β-ヒドロキシ-13-メトキシトタラ-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： C21H30O3
Molecular formula furigana： C21-H30-O3
Molecular weight： 330.468
InChI： InChI=1S/C21H30O3/c1-12(2)19-13-7-10-16-20(3,4)17(22)11-18(23)21(16,5)14(13)8-9-15(19)24-6/h8-9,12,16-17,22H,7,10-11H2,1-6H3/t16-,17-,21+/m0/s1
InChI key： ZUAARWHKJNAGGD-XGHQBKJUSA-N
SMILES： COc1ccc2c(CC[C@H]3C(C)(C)[C@@H](O)CC(=O)[C@]23C)c1C(C)C
Systematic name  (3)：
  • 3β-ヒドロキシ-13-メトキシトタラ-8,11,13-トリエン-1-オン
  • (2S,4aS,10aS)-2-ヒドロキシ-7-メトキシ-1,1,4a-トリメチル-8-(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-hydroxy-7-methoxy-1,1,4a-trimethyl-8-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-4-one
Other name (1)：
  • 3β-Hydroxy-13-methoxytotara-8,11,13-triene-1-one
Thsaurus map：
Thesaurus Map

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