Chem
J-GLOBAL ID：200907002273011113   Nikkaji number：J2.170.106H

(4aS)-4,4,6aβ,12bα-Tetramethyl-1,2,3,4,4aβ,5,6,6a,12aβ,12b-decahydro-12H-benzo[a]xanthene-9,10-diol

(4aS)-4,4,6aβ,12bα-テトラメチル-1,2,3,4,4aβ,5,6,6a,12aβ,12b-デカヒドロ-12H-ベンゾ[a]キサンテン-9,10-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： C21H30O3
Molecular formula furigana： C21-H30-O3
Molecular weight： 330.468
InChI： InChI=1S/C21H30O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h10,12,17-18,22-23H,5-9,11H2,1-4H3/t17-,18+,20-,21-/m0/s1
InChI key： POYORKRQQXVDST-YHELAOLJSA-N
SMILES： CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)Oc3cc(O)c(O)cc3C[C@H]21
Systematic name  (4)：
  • (4aS)-4,4,6aβ,12bα-テトラメチル-2,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-1H-ベンゾ[a]キサンテン-9,10-ジオール
  • (4aS)-4,4,6aβ,12bα-テトラメチル-1,2,3,4,4aβ,5,6,6a,12aβ,12b-デカヒドロ-12H-ベンゾ[a]キサンテン-9,10-ジオール
  • (5aS,7aS,11aS,11bR)-5a,8,8,11a-テトラメチル-6,7,7a,8,9,10,11,11a,11b,12-デカヒドロ-5aH-5-オキサテトラフェン-2,3-ジオール
  • (5aS,7aS,11aS,11bR)-5a,8,8,11a-tetramethyl-6,7,7a,8,9,10,11,11a,11b,12-decahydro-5aH-5-oxatetraphene-2,3-diol
Other name (2)：
  • (4aS)-4,4,6aβ,12bα-Tetramethyl-2,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-1H-benzo[a]xanthene-9,10-diol
  • (4aS)-4,4,6aβ,12bα-Tetramethyl-1,2,3,4,4aβ,5,6,6a,12aβ,12b-decahydro-12H-benzo[a]xanthene-9,10-diol
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