Chem
J-GLOBAL ID:200907078812636064   Nikkaji number:J646.628A

5′-O-Methylepitaondiol

5′-O-メチルエピタオンジオール
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: C28H42O3
Molecular formula furigana: C28-H42-O3
Molecular weight: 426.641
InChI: InChI=1S/C28H42O3/c1-17-14-19(30-7)15-18-16-22-27(5)11-8-20-25(2,3)23(29)10-12-26(20,4)21(27)9-13-28(22,6)31-24(17)18/h14-15,20-23,29H,8-13,16H2,1-7H3/t20-,21+,22+,23-,26-,27+,28-/m0/s1
InChI key: RWEMORBMKJGBQD-HTQNTXKYSA-N
SMILES: COc1cc(C)c2O[C@@]3(C)CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@H]3Cc2c1
Systematic name  (3):
  • (14β)-23-メトキシ-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-オール
  • (2S,4aR,4bR,6aS,12aR,12bR,14aR)-10-メトキシ-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-オール
  • (2S,4aR,4bR,6aS,12aR,12bR,14aR)-10-methoxy-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-ol
Other name (2):
  • 5′-O-メチルエピタオンジオール
  • 5′-O-Methylepitaondiol
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