Chem
J-GLOBAL ID：200907002564255893   Nikkaji number：J2.306.748J

3β-Acetoxyoleana-12-ene-1β,11α-diol

3β-アセトキシオレアナ-12-エン-1β,11α-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： C32H52O4
Molecular formula furigana： C32-H52-O4
Molecular weight： 500.764
InChI： InChI=1S/C32H52O4/c1-19(33)36-25-17-24(35)32(9)23(28(25,4)5)10-11-31(8)26(32)22(34)16-20-21-18-27(2,3)12-13-29(21,6)14-15-30(20,31)7/h16,21-26,34-35H,10-15,17-18H2,1-9H3/t21-,22+,23-,24+,25-,26-,29+,30+,31+,32+/m0/s1
InChI key： XTFVPZUVGUQJDI-AARHHMMNSA-N
SMILES： CC(=O)O[C@H]1C[C@@H](O)[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@H](O)C=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
Systematic name  (3)：
  • 3β-アセトキシオレアナ-12-エン-1β,11α-ジオール
  • (1R,3S,4aS,6aR,6bS,8aR,12aR,14R,14aS,14bS)-1,14-ジヒドロキシ-4,4,6a,6b,8a,11,11,14b-オクタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-3-イル アセタート
  • (1R,3S,4aS,6aR,6bS,8aR,12aR,14R,14aS,14bS)-1,14-dihydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl acetate
Other name (1)：
  • 3β-Acetoxyoleana-12-ene-1β,11α-diol
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