Chem
J-GLOBAL ID：200907043022939050   Nikkaji number：J120.805E

Methyl ursolate

ウルソール酸メチル
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： C31H50O3
Molecular formula furigana： C31-H50-O3
Molecular weight： 470.738
InChI： InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1
InChI key： YCBSMEKEDOHEQI-QHQGJMPNSA-N
SMILES： COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Systematic name  (5)：
  • 19β-メチル-3β-ヒドロキシ-30-ノルオレアナ-12-エン-28-酸メチル
  • 3β-ヒドロキシウルサ-12-エン-28-酸メチル
  • 3β-ヒドロキシ-19β-メチル-30-ノルオレアナ-12-エン-28-酸メチル
  • メチル (1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-ヒドロキシ-1,2,6a,6b,9,9,12a-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-4a-カルボキシラート
  • methyl (1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
Other name (8)：
  • Ursolic acid methyl ester
  • Methyl ursolate
  • ウルソル酸メチルエステル
  • メチルウルソラート
  • 3β-Hydroxyurs-12-en-28-oic acid methyl ester
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CAS registry number： 32208-45-0
Regulation number (1)：
  • EINECS2509533
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