Chem
J-GLOBAL ID：200907004241961244   Nikkaji number：J34.207F

Verrucarol

ベルカロール
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： C15H22O4
Molecular formula furigana： C15-H22-O4
Molecular weight： 266.337
InChI： InChI=1S/C15H22O4/c1-9-3-4-14(7-16)11(5-9)19-12-6-10(17)13(14,2)15(12)8-18-15/h5,10-12,16-17H,3-4,6-8H2,1-2H3/t10-,11-,12-,13-,14-,15+/m1/s1
InChI key： ZSRVBNXAPSQDFY-OJVARPOJSA-N
SMILES： CC1=C[C@H]2O[C@@H]3C[C@@H](O)[C@@](C)([C@@]43CO4)[C@@]2(CO)CC1
Systematic name  (3)：
  • 12,13-エポキシトリコテカ-9-エン-4β,15-ジオール
  • (1'S,2S,2'R,7'R,9'R,11'R)-2'-(ヒドロキシメチル)-1',5'-ジメチル-8'-オキサスピロ[オキシラン-2,12'-トリシクロ[7.2.1.02,7]ドデカン]-5'-エン-11'-オール
  • (1'S,2S,2'R,7'R,9'R,11'R)-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.02,7]dodecan]-5'-en-11'-ol
Other name (3)：
  • ベルカロール
  • Verrucarol
  • 12,13-Epoxytrichothec-9-ene-4β,15-diol
CAS registry number： 2198-92-7
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