Chem
J-GLOBAL ID：200907070032222704   Nikkaji number：J766.533D

Chlovalicin

クロバリシン
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： C16H25ClO5
Molecular formula furigana： C16-H25-CL-O5
Molecular weight： 332.820
InChI： InChI=1S/C16H25ClO5/c1-10(2)5-6-12-14(3,22-12)16(20)13(21-4)11(18)7-8-15(16,19)9-17/h5,12-13,19-20H,6-9H2,1-4H3/t12-,13-,14+,15+,16-/m1/s1
InChI key： NZVBMSJIHBRYNA-RBGFHDKUSA-N
SMILES： CO[C@@H]1C(=O)CC[C@](O)(CCl)[C@]1(O)[C@@]1(C)O[C@@H]1CC=C(C)C
Systematic name  (3)：
  • (2S)-3β-[(2S,3R)-2-メチル-3-(3-メチル-2-ブテニル)オキシラニル]-4β-クロロメチル-3,4-ジヒドロキシ-2β-メトキシ-1-シクロヘキサノン
  • (2S,3S,4R)-4-(クロロメチル)-3,4-ジヒドロキシ-2-メトキシ-3-[(2S,3R)-2-メチル-3-(3-メチルブタ-2-エン-1-イル)オキシラン-2-イル]シクロヘキサン-1-オン
  • (2S,3S,4R)-4-(chloromethyl)-3,4-dihydroxy-2-methoxy-3-[(2S,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexan-1-one
Other name (3)：
  • クロバリシン
  • Chlovalicin
  • (2S)-3β-[(2S,3R)-2-Methyl-3-(3-methyl-2-butenyl)oxiranyl]-4β-chloromethyl-3,4-dihydroxy-2β-methoxy-1-cyclohexanone
Thsaurus map：
Thesaurus Map

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