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(3R,5S)-rel-3,5-Bis[(S)-(6R)-1,4-dioxa-8-thiaspiro[4,5]dec-6-ylhydroxymethyl]tetrahydro-4H-thiopyran-4-one

View entire compound with spectra: 1 MS (GC)

(3R,5S)-rel-3,5-Bis[(S)-(6R)-1,4-dioxa-8-thiaspiro[4,5]dec-6-ylhydroxymethyl]tetrahydro-4H-thiopyran-4-one
SpectraBase Compound ID JnjD5gNCB0q
InChI InChI=1S/C21H32O7S3/c22-17-13(18(23)15-11-29-7-1-20(15)25-3-4-26-20)9-31-10-14(17)19(24)16-12-30-8-2-21(16)27-5-6-28-21/h13-16,18-19,23-24H,1-12H2/t13-,14-,15+,16+,18-,19-/m1/s1
InChIKey YTJQGPLLEIEQTR-LWLHJNNISA-N
Mol Weight 492.7 g/mol
Molecular Formula C21H32O7S3
Exact Mass 492.131017 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzxYV5Xx4eQ
Name (3R,5S)-rel-3,5-Bis[(S)-(6R)-1,4-dioxa-8-thiaspiro[4,5]dec-6-ylhydroxymethyl]tetrahydro-4H-thiopyran-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O7S3
InChI InChI=1S/C21H32O7S3/c22-17-13(18(23)15-11-29-7-1-20(15)25-3-4-26-20)9-31-10-14(17)19(24)16-12-30-8-2-21(16)27-5-6-28-21/h13-16,18-19,23-24H,1-12H2/t13-,14-,15+,16+,18-,19-/m1/s1
InChIKey YTJQGPLLEIEQTR-LWLHJNNISA-N
Molecular Weight 492.660 g/mol
SMILES O[C@]([C@]1(C([C@]([C@]([C@]2(C3(OCCO3)CCSC2)[H])(O)[H])(CSC1)[H])=O)[H])([C@]1(C2(OCCO2)CCSC1)[H])[H]
SPLASH splash10-000t-9600000000-ebaebfffe78cb964287f
Source of Spectrum F-69-4814-21
Synonyms (3S,5S)-3,5-bis[(R)-(6S)-1,4-dioxa-8-thiaspiro[4.5]dec-6-yl(hydroxy)methyl]tetrahydro-4H-thiopyran-4-one
Wiley ID 1595331