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Ethanethioic acid, S-[(4,4a,7,8,8a,9-hexahydro-9,9-dimethylnaphtho[2,3-b]furan-6-yl)methyl]ester, (4aS-cis)-
SpectraBase Compound ID EkIUXubAFoD
InChI InChI=1S/C17H22O2S/c1-11(20)19-10-12-4-5-15-14(8-12)9-13-6-7-18-16(13)17(15,2)3/h6-8,14-15H,4-5,9-10H2,1-3H3/t14?,15-/m0/s1
InChIKey HKKUMRQSXXWDPR-LOACHALJSA-N
Mol Weight 290.42 g/mol
Molecular Formula C17H22O2S
Exact Mass 290.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HK8TvqIcEUk
Name Ethanethioic acid, S-[(4,4a,7,8,8a,9-hexahydro-9,9-dimethylnaphtho[2,3-b]furan-6-yl)methyl]ester, (4aS-cis)-
Alternate Name(s) Naphtho[2,3-b]furan, ethanethioic acid deriv. (-)-S-(9.9-dimethyl-4,4a,7,8,8a,9-hexahydronaphtho[2,3-b]furan-6-yl)methyl ethanethioate O-{[(8aS)-9,9-dimethyl-4,4a,7,8,8a,9-hexahydronaphtho[2,3-b]furan-6-yl]methyl} ethanethioate Thiofurodysin acetate
CAS Registry Number 70546-64-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O2S
InChI InChI=1S/C17H22O2S/c1-11(20)19-10-12-4-5-15-14(8-12)9-13-6-7-18-16(13)17(15,2)3/h6-8,14-15H,4-5,9-10H2,1-3H3/t14?,15-/m0/s1
InChIKey HKKUMRQSXXWDPR-LOACHALJSA-N
Molecular Weight 290.421 g/mol
SMILES c12C([C@]3(CCC(=CC3Cc2cco1)COC(=S)C)[H])(C)C
SPLASH splash10-00di-1920000000-e05c6fab963e1db65816
Source of Spectrum B-42-2188-14
Wiley ID 1293682