Chem
J-GLOBAL ID：200907015542621254   Nikkaji number：J489.495B

2α,3α,24-Trihydroxyurs-12-ene-23,28-dioic acid

2α,3α,24-トリヒドロキシウルサ-12-エン-23,28-二酸
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： C30H46O7
Molecular formula furigana： C30-H46-O7
Molecular weight： 518.691
InChI： InChI=1S/C30H46O7/c1-16-8-11-29(24(34)35)13-12-27(4)18(22(29)17(16)2)6-7-20-26(3)14-19(32)23(33)30(15-31,25(36)37)21(26)9-10-28(20,27)5/h6,16-17,19-23,31-33H,7-15H2,1-5H3,(H,34,35)(H,36,37)/t16-,17+,19-,20-,21-,22+,23-,26-,27-,28-,29+,30+/m1/s1
InChI key： MNEYOGQPVROFPV-GWWYFJBKSA-N
SMILES： C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](CO)([C@@H]5CC[C@@]34C)C(=O)O)[C@@H]2[C@H]1C)C(=O)O
Systematic name  (3)：
  • 2α,3α,24-トリヒドロキシウルサ-12-エン-23,28-二酸
  • (2R,3S,4R,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-2,3-ジヒドロキシ-4-(ヒドロキシメチル)-6a,6b,11,12,14b-ペンタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-4,8a-ジカルボン酸
  • (2R,3S,4R,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-2,3-dihydroxy-4-(hydroxymethyl)-6a,6b,11,12,14b-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylic acid
Other name (1)：
  • 2α,3α,24-Trihydroxyurs-12-ene-23,28-dioic acid
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