![#21;1,5-ANHYDRO-2,3,4,6-DI-O-ISOPROPYLIDENE-1-[(S)-[(2'R,3'S,4'R,5'R)-2',4'-BENZYLIDENEDIOXY-5',6'-ISOPROPYLIDENEDIOXY-3'-(SULFOOXY)-HEXYL]-SULFONIO]-L-GULITOL](/api/spectrum/G81yxmK53Xm/structure.png?h=300&w=458 "#21;1,5-ANHYDRO-2,3,4,6-DI-O-ISOPROPYLIDENE-1-[(S)-[(2'R,3'S,4'R,5'R)-2',4'-BENZYLIDENEDIOXY-5',6'-ISOPROPYLIDENEDIOXY-3'-(SULFOOXY)-HEXYL]-SULFONIO]-L-GULITOL")
| SpectraBase Compound ID | Jkryjqoiq13 |
|---|---|
| InChI | InChI=1S/C28H40O12S2/c1-26(2)32-12-17(36-26)21-23(40-42(29,30)31)18(34-25(35-21)16-10-8-7-9-11-16)14-41-15-19-22(38-28(5,6)37-19)24-20(41)13-33-27(3,4)39-24/h7-11,17-25H,12-15H2,1-6H3/t17-,18+,19-,20+,21-,22-,23-,24-,25?,41?/m1/s1 |
| InChIKey | WDTOXQFCYNZBFR-SKMCCCBFSA-N |
| Mol Weight | 632.7 g/mol |
| Molecular Formula | C28H40O12S2 |
| Exact Mass | 632.196119 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G81yxmK53Xm |
|---|---|
| Name | #21;1,5-ANHYDRO-2,3,4,6-DI-O-ISOPROPYLIDENE-1-[(S)-[(2'R,3'S,4'R,5'R)-2',4'-BENZYLIDENEDIOXY-5',6'-ISOPROPYLIDENEDIOXY-3'-(SULFOOXY)-HEXYL]-SULFONIO]-L-GULITOL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H40O12S2 |
| InChI | InChI=1S/C28H40O12S2/c1-26(2)32-12-17(36-26)21-23(40-42(29,30)31)18(34-25(35-21)16-10-8-7-9-11-16)14-41-15-19-22(38-28(5,6)37-19)24-20(41)13-33-27(3,4)39-24/h7-11,17-25H,12-15H2,1-6H3/t17-,18+,19-,20+,21-,22-,23-,24-,25?,41?/m1/s1 |
| InChIKey | WDTOXQFCYNZBFR-SKMCCCBFSA-N |
| Literature Reference Author | H.LIU,B.M.PINTO |
| Literature Reference Citation | CAN.J.CHEM.,84,497(2006) |
| Literature Reference DOI | 10.1139/v06-027 |
| Molecular Weight | 632.738 g/mol |
| Sample ID | 46853 |
| Solvent | ACETONE-D6 |