Chem
J-GLOBAL ID：200907001120333794   Nikkaji number：J2.609.430E

Colletoic acid

コレト酸
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： C15H24O3
Molecular formula furigana： C15-H24-O3
Molecular weight： 252.354
InChI： InChI=1S/C15H24O3/c1-9(2)11-4-5-12(14(17)18)15(11)7-6-10(3)13(16)8-15/h6,9,11-13,16H,4-5,7-8H2,1-3H3,(H,17,18)/t11-,12+,13-,15-/m0/s1
InChI key： ZIOMQRRFPWLXDN-XFMPKHEZSA-N
SMILES： CC(C)[C@@H]1CC[C@H](C(=O)O)[C@@]21CC=C(C)[C@@H](O)C2
Systematic name  (3)：
  • (1S,4S,5S,9S)-9-ヒドロキシ-4-イソプロピル-8-メチルスピロ[4.5]デカ-7-エン-1-カルボン酸
  • (1S,4S,5S,9S)-9-ヒドロキシ-8-メチル-4-(プロパン-2-イル)スピロ[4.5]デカ-7-エン-1-カルボン酸
  • (1S,4S,5S,9S)-9-hydroxy-8-methyl-4-(propan-2-yl)spiro[4.5]dec-7-ene-1-carboxylic acid
Other name (3)：
  • (1S,4S,5S,9S)-9-Hydroxy-4-isopropyl-8-methylspiro[4.5]deca-7-ene-1-carboxylic acid
  • コレト酸
  • Colletoic acid
CAS registry number： 915007-86-2
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