Chem
J-GLOBAL ID：200907001136752541   Nikkaji number：J490.631D

24-Oxo-2α,3α-dihydroxyurs-12-en-28-oic acid

24-オキソ-2α,3α-ジヒドロキシウルサ-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： C30H46O5
Molecular formula furigana： C30-H46-O5
Molecular weight： 486.693
InChI： InChI=1S/C30H46O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,16-18,20-24,32-33H,8-15H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1
InChI key： XKDDRNDPNACDAM-UMCOSQRYSA-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@](C)(C=O)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O
Systematic name  (3)：
  • 24-オキソ-2α,3α-ジヒドロキシウルサ-12-エン-28-酸
  • (1S,2R,4aS,6aS,6bR,8aR,9R,10S,11R,12aR,12bR,14bS)-9-ホルミル-10,11-ジヒドロキシ-1,2,6a,6b,9,12a-ヘキサメチル-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,9R,10S,11R,12aR,12bR,14bS)-9-formyl-10,11-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-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)：
  • 24-Oxo-2α,3α-dihydroxyurs-12-en-28-oic acid
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