Chem
J-GLOBAL ID：200907005030421215   Nikkaji number：J641.639J

Camaric acid

カマル酸
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： C35H52O6
Molecular formula furigana： C35-H52-O6
Molecular weight： 568.795
InChI： InChI=1S/C35H52O6/c1-9-21(2)27(36)41-26-19-29(3,4)18-23-22-10-11-25-32(8,31(22,7)14-16-34(23,26)28(37)38)13-12-24-30(5,6)35(39)17-15-33(24,25)20-40-35/h9-10,23-26,39H,11-20H2,1-8H3,(H,37,38)/b21-9-/t23-,24-,25-,26+,31+,32+,33+,34-,35-/m0/s1
InChI key： RSKOPEQHBSFOLQ-OTHZFUNLSA-N
SMILES： C/C=C(/C)\C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@]6(O)CC[C@]45CO6)[C@]3(C)CC[C@@]12C(=O)O
Systematic name  (3)：
  • 22β-[[(Z)-2-メチル-2-ブテノイル]オキシ]-3α-ヒドロキシ-3,25-エポキシオレアナ-12-エン-28-酸
  • (1S,2S,6S,10R,11S,14S,15R,18R,20S)-20-ヒドロキシ-8,8,14,15,19,19-ヘキサメチル-10-{[(2Z)-2-メチルブタ-2-エノイル]オキシ}-21-オキサヘキサシクロ[18.2.2.01,18.02,15.05,14.06,11]テトラコサ-4-エン-11-カルボン酸
  • (1S,2S,6S,10R,11S,14S,15R,18R,20S)-20-hydroxy-8,8,14,15,19,19-hexamethyl-10-{[(2Z)-2-methylbut-2-enoyl]oxy}-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid
Other name (5)：
  • カマル酸
  • Camaric acid
  • 22β-アンゲロイルオキシランタノール酸
  • 22β-Angeloyloxylantanolic acid
  • 22β-[[(Z)-2-Methyl-2-butenoyl]oxy]-3α-hydroxy-3,25-epoxyolean-12-en-28-oic acid
CAS registry number： 146450-83-1
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