Chem
J-GLOBAL ID：200907073278170915   Nikkaji number：J1.401.838G

Acetyl methyl betulinate

アセチルメチルベツリナート
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： C33H52O4
Molecular formula furigana： C33-H52-O4
Molecular weight： 512.775
InChI： InChI=1S/C33H52O4/c1-20(2)22-12-17-33(28(35)36-9)19-18-31(7)23(27(22)33)10-11-25-30(6)15-14-26(37-21(3)34)29(4,5)24(30)13-16-32(25,31)8/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,30-,31+,32+,33-/m0/s1
InChI key： FBSVHROTXUJUHS-ODLWIBRJSA-N
SMILES： COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=C)C
Systematic name  (3)：
  • 3β-アセトキシルパ-20(29)-エン-28-酸メチル
  • メチル (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(アセチルオキシ)-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-(acetyloxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate
Other name (3)：
  • 3β-Acetoxylupa-20(29)-ene-28-oic acid methyl ester
  • アセチルメチルベツリナート
  • Acetyl methyl betulinate
CAS registry number： 4356-30-3
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM