Chem
J-GLOBAL ID：200907013936639156   Nikkaji number：J2.627.008A

3β-Acetoxylupane-29-oic acid

3β-アセトキシルパン-29-酸
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(27(34)35)21-11-14-29(5)17-18-31(7)22(26(21)29)9-10-24-30(6)15-13-25(36-20(2)33)28(3,4)23(30)12-16-32(24,31)8/h19,21-26H,9-18H2,1-8H3,(H,34,35)/t19?,21-,22+,23-,24+,25-,26+,29+,30-,31+,32+/m0/s1
InChI key： XNJAMPWVGPBWJX-IIAWTIGJSA-N
SMILES： CC([C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O
Systematic name  (3)：
  • 3β-アセトキシルパン-29-酸
  • 2-[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(アセチルオキシ)-3a,5a,5b,8,8,11a-ヘキサメチル-イコサヒドロ-1H-シクロペンタ[a]クリセン-1-イル]プロパン酸
  • 2-[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(acetyloxy)-3a,5a,5b,8,8,11a-hexamethyl-icosahydro-1H-cyclopenta[a]chrysen-1-yl]propanoic acid
Other name (1)：
  • 3β-Acetoxylupane-29-oic acid
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