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Ethyl 2-O-benzoyl-3,4-O-(1',2'-dimethoxycyclohexane-1',2'-diyl)-1-thio-.alpha.,D-mannopyranoside
SpectraBase Compound ID 2mwBiw62ayZ
InChI InChI=1S/C23H32O8S/c1-4-32-21-19(29-20(25)15-10-6-5-7-11-15)18-17(16(14-24)28-21)30-22(26-2)12-8-9-13-23(22,27-3)31-18/h5-7,10-11,16-19,21,24H,4,8-9,12-14H2,1-3H3/t16-,17-,18+,19+,21-,22?,23?/m1/s1
InChIKey TWQLUPNRWMETCQ-MREAWDSXSA-N
Mol Weight 468.6 g/mol
Molecular Formula C23H32O8S
Exact Mass 468.181789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hl45dCDU1pY
Name Ethyl 2-O-benzoyl-3,4-O-(1',2'-dimethoxycyclohexane-1',2'-diyl)-1-thio-.alpha.,D-mannopyranoside
Alternate Name(s) (1'S,2'S)-Ethyl 2-O-benzoyl-3,4-O-(1',2'-dimethoxycyclohexane-1',2'-diyl)-1-thio-.alpha.,D-mannopyranoside (1R,3R,4S,4aS,10aR)-3-(ethylsulfanyl)-1-(hydroxymethyl)-5a,9a-dimethoxydecahydro-1H-pyrano[3,4-b][1,4]benzodioxin-4-yl benzoate
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Formula C23H32O8S
InChI InChI=1S/C23H32O8S/c1-4-32-21-19(29-20(25)15-10-6-5-7-11-15)18-17(16(14-24)28-21)30-22(26-2)12-8-9-13-23(22,27-3)31-18/h5-7,10-11,16-19,21,24H,4,8-9,12-14H2,1-3H3/t16-,17-,18+,19+,21-,22?,23?/m1/s1
InChIKey TWQLUPNRWMETCQ-MREAWDSXSA-N
Molecular Weight 468.561 g/mol
SMILES OC[C@]1(O[C@@]([C@]([C@@]2([C@@]1(OC1(C(O2)(OC)CCCC1)OC)[H])[H])(OC(=O)c1ccccc1)[H])(SCC)[H])[H]
SPLASH splash10-0r2c-4733900000-40c4abd87a5f59c164a8
Source of Spectrum KC-0-360-34
Wiley ID 787238