Chem
J-GLOBAL ID：200907076940816030   Nikkaji number：J490.630F

2α,3α,23,24-Tetrahydroxyurs-12-en-28-oic acid

2α,3α,23,24-テトラヒドロキシウルサ-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： C30H48O6
Molecular formula furigana： C30-H48-O6
Molecular weight： 504.708
InChI： InChI=1S/C30H48O6/c1-17-8-11-29(25(35)36)13-12-27(4)19(23(29)18(17)2)6-7-21-26(3)14-20(33)24(34)30(15-31,16-32)22(26)9-10-28(21,27)5/h6,17-18,20-24,31-34H,7-16H2,1-5H3,(H,35,36)/t17-,18+,20-,21-,22-,23+,24-,26-,27-,28-,29+/m1/s1
InChI key： QKGPNDHWOGBRBR-SLECLDPGSA-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)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O
Systematic name  (3)：
  • 2α,3α,23,24-テトラヒドロキシウルサ-12-エン-28-酸
  • (1S,2R,4aS,6aS,6bR,8aR,10S,11R,12aR,12bR,14bS)-10,11-ジヒドロキシ-9,9-ビス(ヒドロキシメチル)-1,2,6a,6b,12a-ペンタメチル-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,11R,12aR,12bR,14bS)-10,11-dihydroxy-9,9-bis(hydroxymethyl)-1,2,6a,6b,12a-pentamethyl-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)：
  • 2α,3α,23,24-Tetrahydroxyurs-12-en-28-oic acid
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