Chem
J-GLOBAL ID：200907063013003396   Nikkaji number：J815.997A

Tridecanoic acid 28-hydroxyolean-12-en-3β-yl ester

トリデカン酸28-ヒドロキシオレアナ-12-エン-3β-イル
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： C43H74O3
Molecular formula furigana： C43-H74-O3
Molecular weight： 639.062
InChI： InChI=1S/C43H74O3/c1-9-10-11-12-13-14-15-16-17-18-19-37(45)46-36-23-24-40(6)34(39(36,4)5)22-25-42(8)35(40)21-20-32-33-30-38(2,3)26-28-43(33,31-44)29-27-41(32,42)7/h20,33-36,44H,9-19,21-31H2,1-8H3/t33-,34-,35+,36-,40-,41+,42+,43+/m0/s1
InChI key： CIGPQBBMSKFPOK-BAKYMIQTSA-N
SMILES： CCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(CO)CC[C@@]32C)C1(C)C
Systematic name  (3)：
  • トリデカン酸28-ヒドロキシオレアナ-12-エン-3β-イル
  • (3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(ヒドロキシメチル)-4,4,6a,6b,11,11,14b-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-3-イル トリデカノアート
  • (3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl tridecanoate
Other name (1)：
  • Tridecanoic acid 28-hydroxyolean-12-en-3β-yl ester
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