Chem
J-GLOBAL ID：200907099810068120   Nikkaji number：J1.164.834G

Katonic acid

カトン酸
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： C30H48O3
Molecular formula furigana： C30-H48-O3
Molecular weight： 456.711
InChI： InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23+,26+,27+,28-,29+,30+/m0/s1
InChI key： JZFSMVXQUWRSIW-MCLQAGPZSA-N
SMILES： CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C(=O)O
Systematic name  (3)：
  • 3α-ヒドロキシオレアナ-12-エン-29-酸
  • (2R,4aS,6aS,6bR,8aR,10R,12aR,12bR,14bR)-10-ヒドロキシ-2,4a,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-2-カルボン酸
  • (2R,4aS,6aS,6bR,8aR,10R,12aR,12bR,14bR)-10-hydroxy-2,4a,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-2-carboxylic acid
Other name (3)：
  • 3α-Hydroxyoleana-12-ene-29-oic acid
  • カトン酸
  • Katonic acid
CAS registry number： 6894-46-8
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