Chem
J-GLOBAL ID：200907005024801987   Nikkaji number：J936.152I

Karounidiol 3-benzoate

カロウニジオール3-ベンゾアート
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： C37H52O3
Molecular formula furigana： C37-H52-O3
Molecular weight： 544.820
InChI： InChI=1S/C37H52O3/c1-32(2)28-14-13-27-26(35(28,5)17-16-30(32)40-31(39)25-11-9-8-10-12-25)15-18-37(7)29-23-33(3,24-38)19-20-34(29,4)21-22-36(27,37)6/h8-13,15,28-30,38H,14,16-24H2,1-7H3/t28-,29+,30+,33+,34+,35+,36+,37-/m0/s1
InChI key： QTSNHJFHQLIOGA-YBTZDMJXSA-N
SMILES： C[C@@]1(CO)CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](CC[C@]5(C)C4=CC[C@@]3(C)[C@@H]2C1)OC(=O)c1ccccc1
Systematic name  (4)：
  • D:C-フリードオレアナ-7,9(11)-ジエン-3α,29-ジオール3-ベンゾアート
  • 20-メチル-29-ノルバウエラ-7,9(11)-ジエン-3α,30-ジオール3-ベンゾアート
  • (3R,4aR,6bS,8aS,11R,12aR,12bS,14bS)-11-(ヒドロキシメチル)-4,4,6b,8a,11,12b,14b-ヘプタメチル-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-オクタデカヒドロピセン-3-イル ベンゾアート
  • (3R,4aR,6bS,8aS,11R,12aR,12bS,14bS)-11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicen-3-yl benzoate
Other name (4)：
  • カロウニジオール3-ベンゾアート
  • Karounidiol 3-benzoate
  • D:C-Friedoolean-7,9(11)-diene-3α,29-diol 3-benzoate
  • 20-Methyl-29-norbauera-7,9(11)-diene-3α,30-diol 3-benzoate
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