Chem
J-GLOBAL ID：200907026192534665   Nikkaji number：J1.330.044E

3β-[(2-Oxo-2-hydroxyethoxy)acetyl]lupa-20(29)-ene-28-oic acid

3β-[(2-オキソ-2-ヒドロキシエトキシ)アセチル]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： C34H52O6
Molecular formula furigana： C34-H52-O6
Molecular weight： 556.784
InChI： InChI=1S/C34H52O6/c1-20(2)21-10-15-34(29(38)39)17-16-32(6)23(28(21)34)8-9-26-31(5)13-11-22(24(35)18-40-19-27(36)37)30(3,4)25(31)12-14-33(26,32)7/h21-23,25-26,28H,1,8-19H2,2-7H3,(H,36,37)(H,38,39)/t21-,22+,23+,25-,26+,28+,31-,32+,33+,34-/m0/s1
InChI key： PFMGCMGZJHQRBC-JJCFDBGOSA-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](C(=O)COCC(=O)O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O
Systematic name  (3)：
  • 3β-[(2-オキソ-2-ヒドロキシエトキシ)アセチル]ルパ-20(29)-エン-28-酸
  • (1R,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR,13bR)-9-[2-(カルボキシメトキシ)アセチル]-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,7aS,9S,11aS,11bR,13aR,13bR)-9-[2-(carboxymethoxy)acetyl]-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
Other name (1)：
  • 3β-[(2-Oxo-2-hydroxyethoxy)acetyl]lupa-20(29)-ene-28-oic acid
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