Chem
J-GLOBAL ID:200907002291018745   Nikkaji number:J2.414.618I

(13R)-13-Hydroxy-14α-acetoxyabieta-7-ene-18-oic acid methyl ester

(13R)-13-ヒドロキシ-14α-アセトキシアビエタ-7-エン-18-酸メチル
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: C23H36O5
Molecular formula furigana: C23-H36-O5
Molecular weight: 392.536
InChI: InChI=1S/C23H36O5/c1-14(2)23(26)13-10-17-16(19(23)28-15(3)24)8-9-18-21(17,4)11-7-12-22(18,5)20(25)27-6/h8,14,17-19,26H,7,9-13H2,1-6H3/t17-,18+,19+,21+,22+,23+/m0/s1
InChI key: WAXGYZFDANIFPF-UDKKZWDASA-N
SMILES: COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@@](O)(C(C)C)[C@H](OC(=O)C)C3=CC[C@@H]12
Systematic name  (3):
  • (13R)-13-ヒドロキシ-14α-アセトキシアビエタ-7-エン-18-酸メチル
  • メチル (1R,4aR,4bR,7R,8R,10aR)-8-(アセチルオキシ)-7-ヒドロキシ-1,4a-ジメチル-7-(プロパン-2-イル)-1,2,3,4,4a,4b,5,6,7,8,10,10a-ドデカヒドロフェナントレン-1-カルボキシラート
  • methyl (1R,4aR,4bR,7R,8R,10aR)-8-(acetyloxy)-7-hydroxy-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate
Other name (1):
  • (13R)-13-Hydroxy-14α-acetoxyabieta-7-ene-18-oic acid methyl ester
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