Chem
J-GLOBAL ID：200907059182192664   Nikkaji number：J1.346.783H

Myrica acid

ミリカ酸
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： C30H44O4
Molecular formula furigana： C30-H44-O4
Molecular weight： 468.678
InChI： InChI=1S/C30H44O4/c1-25(2)12-14-30(24(33)34)15-13-27(5)18(19(30)17-25)8-9-21-28(27,6)11-10-20-26(3,4)22(31)16-23(32)29(20,21)7/h8-9,20-22,31H,10-17H2,1-7H3,(H,33,34)/t20-,21-,22-,27+,28+,29-,30-/m0/s1
InChI key： MRZDEOWEUAMNTO-ZKORMJMLSA-N
SMILES： CC1(C)CC[C@@]2(CC[C@]3(C)C(=C2C1)C=C[C@H]1[C@@]3(C)CC[C@H]2C(C)(C)[C@@H](O)CC(=O)[C@]12C)C(=O)O
Systematic name  (3)：
  • 1-オキソ-3β-ヒドロキシオレアナ-11,13(18)-ジエン-28-酸
  • (4aS,6aS,6bR,8aS,10S,12aS,12bS)-10-ヒドロキシ-2,2,6a,6b,9,9,12a-ヘプタメチル-12-オキソ-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-オクタデカヒドロピセン-4a-カルボン酸
  • (4aS,6aS,6bR,8aS,10S,12aS,12bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-12-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicene-4a-carboxylic acid
Other name (3)：
  • 1-Oxo-3β-hydroxyoleana-11,13(18)-diene-28-oic acid
  • ミリカ酸
  • Myrica acid
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