Chem
J-GLOBAL ID：200907039452841871   Nikkaji number：J16.222A

Sumaresinol

スマレシノール
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/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-21-27(5)11-10-22(32)26(3,4)23(27)20(31)17-29(21,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21+,22-,23-,27+,28+,29+,30-/m0/s1
InChI key： KLHSKTMVSOWVLD-WPDRYGPBSA-N
SMILES： CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1)C(=O)O
Systematic name  (4)：
  • 3β,6β-ジヒドロキシオレアナ-12-エン-28-酸
  • 3β,6β-ジヒドロキシ-5α-オレアナ-12-エン-28-酸
  • (4aS,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-8,10-ジヒドロキシ-2,2,6a,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
  • (4aS,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-8,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-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 (6)：
  • スマレシノール酸
  • Sumaresinolic acid
  • Sumaresinol
  • スマレシノール
  • 3β,6β-Dihydroxyolean-12-en-28-oic acid
Show all
CAS registry number： 559-64-8
KEGG COMPOUND： C17070
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