Chem
J-GLOBAL ID：200907090331267790   Nikkaji number：J18.302D

Lantanilic acid

ランタニル酸
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/c1-21(2)17-27(36)41-26-19-29(3,4)18-23-22-9-10-25-32(8,31(22,7)13-15-34(23,26)28(37)38)12-11-24-30(5,6)35(39)16-14-33(24,25)20-40-35/h9,17,23-26,39H,10-16,18-20H2,1-8H3,(H,37,38)/t23-,24-,25-,26+,31+,32+,33+,34-,35-/m0/s1
InChI key： HGMVESCHSMFWDD-ZUQXEZLCSA-N
SMILES： CC(=CC(=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)C
Systematic name  (3)：
  • 3β,25-エポキシ-3-ヒドロキシ-22β-[(3-メチル-1-オキソ-2-ブテニル)オキシ]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-[(3-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-[(3-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 (6)：
  • ランタニル酸
  • Lantanilic acid
  • 3β,25-Epoxy-3-hydroxy-22β-[(3-methyl-1-oxo-2-butenyl)oxy]olean-12-en-28-oic acid
  • 22β-ジメチルアクリロイルオキシランタノール酸
  • 22β-Dimethylacryloyloxylantanolic acid
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CAS registry number： 60657-41-2
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