Chem
J-GLOBAL ID：200907066229959299   Nikkaji number：J1.823.329K

D:C-Friedoolean-5,7,9(11)-triene-3α,29-diol 3,29-dibenzoate

20-メチル-29-ノルバウエラ-5,7,9(11)-トリエン-3α,30-ジオールジベンゾアート
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： C44H54O4
Molecular formula furigana： C44-H54-O4
Molecular weight： 646.912
InChI： InChI=1S/C44H54O4/c1-39(2)34-19-18-33-32(42(34,5)22-21-36(39)48-38(46)31-16-12-9-13-17-31)20-23-44(7)35-28-40(3,24-25-41(35,4)26-27-43(33,44)6)29-47-37(45)30-14-10-8-11-15-30/h8-20,35-36H,21-29H2,1-7H3/t35-,36-,40-,41-,42-,43-,44+/m1/s1
InChI key： UZGASCXJRWEYOW-WITUYVEWSA-N
SMILES： C[C@@]1(COC(=O)c2ccccc2)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(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-5,7,9(11)-トリエン-3α,29-ジオール3,29-ジベンゾアート
  • 20-メチル-29-ノルバウエラ-5,7,9(11)-トリエン-3α,30-ジオールジベンゾアート
  • [(2R,4aS,6aS,10R,12aR,14aS,14bR)-10-(ベンゾイルオキシ)-2,4a,6a,9,9,12a,14a-ヘプタメチル-1,2,3,4,4a,5,6,6a,9,10,11,12,12a,14,14a,14b-ヘキサデカヒドロピセン-2-イル]メチル ベンゾアート
  • [(2R,4aS,6aS,10R,12aR,14aS,14bR)-10-(benzoyloxy)-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,9,10,11,12,12a,14,14a,14b-hexadecahydropicen-2-yl]methyl benzoate
Other name (2)：
  • D:C-Friedoolean-5,7,9(11)-triene-3α,29-diol 3,29-dibenzoate
  • 20-Methyl-29-norbauera-5,7,9(11)-triene-3α,30-diol dibenzoate
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