Chem
J-GLOBAL ID：200907095000395502   Nikkaji number：J489.496K

2α,3α,23-Trihydroxyurs-12,20(30)-dien-28-oic acid

2α,3α,23-トリヒドロキシウルサ-12,20(30)-ジエン-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/h7,18,20-24,31-33H,1,8-16H2,2-6H3,(H,34,35)/t18-,20+,21+,22+,23-,24+,26-,27-,28+,29+,30-/m0/s1
InChI key： FFMVHFPLIIYYNC-OKSSEWIBSA-N
SMILES： C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CCC1=C)C(=O)O
Systematic name  (4)：
  • 2α,3α,23-トリヒドロキシウルサ-12,20(30)-ジエン-28-酸
  • 2α,3α,23-トリヒドロキシ-19β-メチル-30-ノルオレアナ-12,20(29)-ジエン-28-酸
  • (1R,4aS,6aS,6bR,8aR,9R,10S,11R,12aR,12bR,14bS)-10,11-ジヒドロキシ-9-(ヒドロキシメチル)-1,6a,6b,9,12a-ペンタメチル-2-メチリデン-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
  • (1R,4aS,6aS,6bR,8aR,9R,10S,11R,12aR,12bR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-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 (2)：
  • 2α,3α,23-Trihydroxyurs-12,20(30)-dien-28-oic acid
  • 2α,3α,23-Trihydroxy-19β-methyl-30-noroleana-12,20(29)-diene-28-oic acid
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