Chem
J-GLOBAL ID：200907070907867658   Nikkaji number：J1.828.691B

(1S,3aS)-4α-Acetoxy-tetradecahydro-1α-(1-hydroxy-1-methylethyl)-6-methylene-3aα-methyl-9α,10α:12α,12aα-diepoxycyclopentacycloundecene-10-methanol

(1S,3aS)-4α-アセトキシ-テトラデカヒドロ-1α-(1-ヒドロキシ-1-メチルエチル)-6-メチレン-3aα-メチル-9α,10α:12α,12aα-ジエポキシシクロペンタシクロウンデセン-10-メタノール
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： C22H34O6
Molecular formula furigana： C22-H34-O6
Molecular weight： 394.508
InChI： InChI=1S/C22H34O6/c1-13-6-7-16-21(12-23,27-16)11-18-22(28-18)15(19(3,4)25)8-9-20(22,5)17(10-13)26-14(2)24/h15-18,23,25H,1,6-12H2,2-5H3/t15?,16-,17?,18-,20-,21-,22-/m0/s1
InChI key： WCNZILSICNGEAM-PITBXWQPSA-N
SMILES： CC(=O)OC1CC(=C)CC[C@@H]2O[C@]2(CO)C[C@@H]2O[C@]32[C@@H](CC[C@@]13C)C(C)(C)O
Systematic name  (3)：
  • (1S,3aS)-4α-アセトキシ-テトラデカヒドロ-1α-(1-ヒドロキシ-1-メチルエチル)-6-メチレン-3aα-メチル-9α,10α:12α,12aα-ジエポキシシクロペンタシクロウンデセン-10-メタノール
  • (1R,3S,5S,7S,12R,13S,16S)-5-(ヒドロキシメチル)-16-(2-ヒドロキシプロパン-2-イル)-13-メチル-10-メチリデン-2,6-ジオキサテトラシクロ[11.3.0.01,3.05,7]ヘキサデカン-12-イル アセタート
  • (1R,3S,5S,7S,12R,13S,16S)-5-(hydroxymethyl)-16-(2-hydroxypropan-2-yl)-13-methyl-10-methylidene-2,6-dioxatetracyclo[11.3.0.01,3.05,7]hexadecan-12-yl acetate
Other name (1)：
  • (1S,3aS)-4α-Acetoxy-tetradecahydro-1α-(1-hydroxy-1-methylethyl)-6-methylene-3aα-methyl-9α,10α:12α,12aα-diepoxycyclopentacycloundecene-10-methanol
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