Chem
J-GLOBAL ID：200907053311255769   Nikkaji number：J109.369J

Methyl betulinate

ベツリン酸メチル
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(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,28-,29+,30+,31-/m0/s1
InChI key： XNZIMRUZBOZIBC-JVRMVBBZSA-N
SMILES： COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=C)C
Systematic name  (4)：
  • 3β-ヒドロキシルパ-20(29)-エン-28-酸メチル
  • 3β-ヒドロキシルパ-20(30)-エン-28-酸メチル
  • メチル (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-ヒドロキシ-5a,5b,8,8,11a-ペンタメチル-1-(プロパ-1-エン-2-イル)-イコサヒドロ-1H-シクロペンタ[a]クリセン-3a-カルボキシラート
  • methyl (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate
Other name (7)：
  • Methyl betulinate
  • Methyl betulate
  • Betulinic acid methyl
  • ベツリン酸メチル
  • 3β-Hydroxylup-20(29)-en-28-oic acid methyl ester
Show all
CAS registry number： 2259-06-5
Regulation number (1)：
  • EINECS2188576
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