Chem
J-GLOBAL ID：200907048393863679   Nikkaji number：J1.474.383I

3β-[(Carboxymethoxy)acetyloxy]lupa-20(29)-ene-28-oic acid

3β-[(カルボキシメトキシ)アセチルオキシ]ルパ-20(29)-エン-28-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： C34H52O7
Molecular formula furigana： C34-H52-O7
Molecular weight： 572.783
InChI： InChI=1S/C34H52O7/c1-20(2)21-10-15-34(29(38)39)17-16-32(6)22(28(21)34)8-9-24-31(5)13-12-25(41-27(37)19-40-18-26(35)36)30(3,4)23(31)11-14-33(24,32)7/h21-25,28H,1,8-19H2,2-7H3,(H,35,36)(H,38,39)/t21-,22+,23-,24+,25-,28+,31-,32+,33+,34-/m0/s1
InChI key： NOTNRQZZLMGVGV-PBWYTAEDSA-N
SMILES： CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)COCC(=O)O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O
Systematic name  (4)：
  • 3β-(2-オキソ-2-ヒドロキシエトキシアセチルオキシ)ルパ-20(29)-エン-28-酸
  • 3β-[(カルボキシメトキシ)アセチルオキシ]ルパ-20(29)-エン-28-酸
  • (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-{[2-(カルボキシメトキシ)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-カルボン酸
  • (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-{[2-(carboxymethoxy)acetyl]oxy}-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
Other name (2)：
  • 3β-(2-Oxo-2-hydroxyethoxyacetyloxy)lupa-20(29)-ene-28-oic acid
  • 3β-[(Carboxymethoxy)acetyloxy]lupa-20(29)-ene-28-oic acid
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