Chem
J-GLOBAL ID：200907055528982262   Nikkaji number：J1.810.233A

28-(Cyclohexylcarbonyloxy)-20,29-didehydrolupane-3β-ol

28-(シクロヘキシルカルボニルオキシ)-20,29-ジデヒドロルパン-3β-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： C37H60O3
Molecular formula furigana： C37-H60-O3
Molecular weight： 552.884
InChI： InChI=1S/C37H60O3/c1-24(2)26-15-20-37(23-40-32(39)25-11-9-8-10-12-25)22-21-35(6)27(31(26)37)13-14-29-34(5)18-17-30(38)33(3,4)28(34)16-19-36(29,35)7/h25-31,38H,1,8-23H2,2-7H3/t26-,27+,28-,29+,30-,31+,34-,35+,36+,37+/m0/s1
InChI key： OUNYDHNUFGLVEL-COUXBJNASA-N
SMILES： CC(=C)[C@@H]1CC[C@]2(COC(=O)C3CCCCC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
Systematic name  (3)：
  • 28-(シクロヘキシルカルボニルオキシ)-20,29-ジデヒドロルパン-3β-オール
  • [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-ヒドロキシ-5a,5b,8,8,11a-ペンタメチル-1-(プロパ-1-エン-2-イル)-イコサヒドロ-1H-シクロペンタ[a]クリセン-3a-イル]メチル シクロヘキサンカルボキシラート
  • [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-3a-yl]methyl cyclohexanecarboxylate
Other name (1)：
  • 28-(Cyclohexylcarbonyloxy)-20,29-didehydrolupane-3β-ol
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