Chem
J-GLOBAL ID：200907012927606230   Nikkaji number：J89.685C

3-Epicorosolic acid

3-エピコロソール酸
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： C30H48O4
Molecular formula furigana： C30-H48-O4
Molecular weight： 472.710
InChI： InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1
InChI key： HFGSQOYIOKBQOW-RFMFWNHYSA-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)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O
Systematic name  (6)：
  • 2α,3α-ジヒドロキシウルサ-12-エン-28-酸
  • 2α,3α-ジヒドロキシ-19β-メチル-30-ノルオレアナ-12-エン-28-酸
  • 2α,3α-ジヒドロキシウルサン-12-エン-28-酸
  • (14S)-2α,3α-ジヒドロキシ-8β-メチル-27-ノルバウエラ-12-エン-28-酸
  • (1S,2R,4aS,6aS,6bR,8aR,10S,11R,12aR,12bR,14bS)-10,11-ジヒドロキシ-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
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Other name (6)：
  • 2α,3α-Dihydroxyurs-12-en-28-oic acid
  • 2α,3α-Dihydroxy-19β-methyl-30-noroleana-12-ene-28-oic acid
  • 2α,3α-Dihydroxyursane-12-ene-28-oic acid
  • (14S)-2α,3α-Dihydroxy-8β-methyl-27-norbauera-12-ene-28-oic acid
  • 3-エピコロソール酸
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CAS registry number： 52213-27-1
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