Chem
J-GLOBAL ID：200907033051436534   Nikkaji number：J1.462.429E

3β-[(2-Hydroxy-2-oxoethoxy)acetoxy]urs-12-ene-28-oic acid

3β-[(2-ヒドロキシ-2-オキソエトキシ)アセトキシ]ウルサ-12-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/c1-20-10-15-34(29(38)39)17-16-32(6)22(28(34)21(20)2)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/h8,20-21,23-25,28H,9-19H2,1-7H3,(H,35,36)(H,38,39)/t20-,21+,23+,24-,25+,28+,31+,32-,33-,34+/m1/s1
InChI key： NMOQMDYIPHDFRZ-NLNDANQGSA-N
SMILES： C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=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]2[C@H]1C)C(=O)O
Systematic name  (3)：
  • 3β-[(2-ヒドロキシ-2-オキソエトキシ)アセトキシ]ウルサ-12-エン-28-酸
  • (1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[2-(カルボキシメトキシ)アセチル]オキシ}-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-カルボン酸
  • (1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[2-(carboxymethoxy)acetyl]oxy}-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-carboxylic acid
Other name (1)：
  • 3β-[(2-Hydroxy-2-oxoethoxy)acetoxy]urs-12-ene-28-oic acid
Thsaurus map：
Thesaurus Map

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