Chem
J-GLOBAL ID:200907047004304507   Nikkaji number:J489.953I

Epitaondiol acetate

エピタオンジオールアセタート
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: C29H42O4
Molecular formula furigana: C29-H42-O4
Molecular weight: 454.651
InChI: InChI=1S/C29H42O4/c1-17-14-20(31)15-19-16-23-28(6)11-8-21-26(3,4)24(32-18(2)30)10-12-27(21,5)22(28)9-13-29(23,7)33-25(17)19/h14-15,21-24,31H,8-13,16H2,1-7H3/t21-,22+,23+,24-,27-,28+,29-/m0/s1
InChI key: XKVBAMSBWAVUFF-KTIFURDTSA-N
SMILES: CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@]2(C)Oc4c(C)cc(O)cc4C[C@H]32)C1(C)C
Systematic name  (3):
  • (14β)-4,4,8-トリメチル-16,24-シクロ-D(17a)-ホモ-17a-オキサ-5α-コラ-16,20(22),23-トリエン-3β,23-ジオール3-アセタート
  • (2S,4aR,4bR,6aS,12aR,12bR,14aR)-10-ヒドロキシ-1,1,4a,6a,8,12b-ヘキサメチル-1H,2H,3H,4H,4aH,4bH,5H,6H,6aH,12H,12aH,12bH,13H,14H,14aH-ナフト[2,1-a]キサンテン-2-イル アセタート
  • (2S,4aR,4bR,6aS,12aR,12bR,14aR)-10-hydroxy-1,1,4a,6a,8,12b-hexamethyl-1H,2H,3H,4H,4aH,4bH,5H,6H,6aH,12H,12aH,12bH,13H,14H,14aH-naphtho[2,1-a]xanthen-2-yl acetate
Other name (3):
  • エピタオンジオールアセタート
  • Epitaondiol acetate
  • (14β)-4,4,8-Trimethyl-16,24-cyclo-D(17a)-homo-17a-oxa-5α-chola-16,20(22),23-triene-3β,23-diol 3-acetate
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