Chem
J-GLOBAL ID：200907074619341507   Nikkaji number：J1.918.497H

7α-Methoxy-1β(11)-oxyabieta-8,11,13-triene-6α,12-diol

7α-メトキシ-1β(11)-オキシアビエタ-8,11,13-トリエン-6α,12-ジオール
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： C21H30O4
Molecular formula furigana： C21-H30-O4
Molecular weight： 346.467
InChI： InChI=1S/C21H30O4/c1-10(2)11-9-12-14-18(15(11)22)25-13-7-8-20(3,4)19(21(13,14)5)16(23)17(12)24-6/h9-10,13,16-17,19,22-23H,7-8H2,1-6H3/t13-,16+,17+,19+,21-/m1/s1
InChI key： YLLIQVMJPNPYBS-LVHFFVIDSA-N
SMILES： CO[C@@H]1[C@H](O)[C@@H]2[C@]3(C)[C@@H](CCC2(C)C)Oc2c3c1cc(C(C)C)c2O
Systematic name  (3)：
  • 7α-メトキシ-1β(11)-オキシアビエタ-8,11,13-トリエン-6α,12-ジオール
  • (6S,7R,8S,12R,13S)-6-メトキシ-9,9,13-トリメチル-3-(プロパン-2-イル)-15-オキサテトラシクロ[10.2.1.05,14.08,13]ペンタデカ-1(14),2,4-トリエン-2,7-ジオール
  • (6S,7R,8S,12R,13S)-6-methoxy-9,9,13-trimethyl-3-(propan-2-yl)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4-triene-2,7-diol
Other name (1)：
  • 7α-Methoxy-1β(11)-oxyabieta-8,11,13-triene-6α,12-diol
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