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5-[(1S,3aS,4S,6aR)-4-(3,4-Dimethoxy-phenyl)-3a-methylsulfanyl-tetrahydro-furo[3,4-c]furan-1-yl]-benzo[1,3]dioxole
SpectraBase Compound ID 6RuqYL2e1Ze
InChI InChI=1S/C22H24O6S/c1-23-16-6-5-14(9-18(16)24-2)21-22(29-3)11-26-20(15(22)10-25-21)13-4-7-17-19(8-13)28-12-27-17/h4-9,15,20-21H,10-12H2,1-3H3/t15-,20-,21+,22-/m1/s1
InChIKey FEPJWYSECGXMFH-ZHHJKBAOSA-N
Mol Weight 416.49 g/mol
Molecular Formula C22H24O6S
Exact Mass 416.12936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GyHOIpAg6Cb
Name 5-[(1S,3aS,4S,6aR)-4-(3,4-Dimethoxy-phenyl)-3a-methylsulfanyl-tetrahydro-furo[3,4-c]furan-1-yl]-benzo[1,3]dioxole
CAS Registry Number 97141-84-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O6S
InChI InChI=1S/C22H24O6S/c1-23-16-6-5-14(9-18(16)24-2)21-22(29-3)11-26-20(15(22)10-25-21)13-4-7-17-19(8-13)28-12-27-17/h4-9,15,20-21H,10-12H2,1-3H3/t15-,20-,21+,22-/m1/s1
InChIKey FEPJWYSECGXMFH-ZHHJKBAOSA-N
Molecular Weight 416.488 g/mol
SMILES [C@@]1([C@]2(CO[C@]([C@@]2(SC)CO1)(c1ccc(c(c1)OC)OC)[H])[H])(c1ccc2c(OCO2)c1)[H]
SPLASH splash10-0udi-0930200000-6f0b1a09133a3048bb68
Source of Spectrum KC-1985-593-21c
Wiley ID 1376300