Chem
J-GLOBAL ID:200907026161578010   Nikkaji number:J2.382.721B

(4aβ)-4-Benzyl-6β-isopropenyl-8aα-methyloctahydro-1,4-benzooxathiin-4-ium

(4aβ)-4-ベンジル-6β-イソプロペニル-8aα-メチルオクタヒドロ-1,4-ベンゾオキサチイン-4-イウム
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: C19H27O[S+]
Molecular formula furigana: C19-H27-O-S
Molecular weight: 303.480
InChI: InChI=1S/C19H27OS/c1-15(2)17-9-10-19(3)18(13-17)21(12-11-20-19)14-16-7-5-4-6-8-16/h4-8,17-18H,1,9-14H2,2-3H3/q+1/t17-,18+,19+,21?/m0/s1
InChI key: KLDSGDCLGIXUAP-BSWYJCKLSA-N
SMILES: CC(=C)[C@H]1CC[C@@]2(C)OCC[S+](Cc3ccccc3)[C@@H]2C1
Systematic name  (3):
  • (4aβ)-4-ベンジル-6β-イソプロペニル-8aα-メチルオクタヒドロ-1,4-ベンゾオキサチイン-4-イウム
  • (4aR,6S,8aR)-4-ベンジル-8a-メチル-6-(プロパ-1-エン-2-イル)-オクタヒドロ-2H-1,4-ベンゾオキサチイン-4-イウム
  • (4aR,6S,8aR)-4-benzyl-8a-methyl-6-(prop-1-en-2-yl)-octahydro-2H-1,4-benzoxathiin-4-ium
Other name (1):
  • (4aβ)-4-Benzyl-6β-isopropenyl-8aα-methyloctahydro-1,4-benzooxathiin-4-ium
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