![BENZYL-(6S)-[6-DEUTERIO]-2,3,4-TRI-O-ACETYL-6-O-SULFO-BETA-D-GLUCOPYRANOSIDE-TRIETHYLAMMONIUM-SALT](/api/spectrum/6SPe3UTrEEk/structure.png?h=300&w=458 "BENZYL-(6S)-[6-DEUTERIO]-2,3,4-TRI-O-ACETYL-6-O-SULFO-BETA-D-GLUCOPYRANOSIDE-TRIETHYLAMMONIUM-SALT")
| SpectraBase Compound ID | I2cDS5SjzCW |
|---|---|
| InChI | InChI=1S/C19H24O12S.C6H15N/c1-11(20)28-16-15(10-27-32(23,24)25)31-19(26-9-14-7-5-4-6-8-14)18(30-13(3)22)17(16)29-12(2)21;1-4-7(5-2)6-3/h4-8,15-19H,9-10H2,1-3H3,(H,23,24,25);4-6H2,1-3H3/t15-,16-,17+,18-,19-;/m0./s1/i10D;/t10?,15-,16-,17+,18-,19-; |
| InChIKey | VLJQMZWXHWKGEF-ZRETZUDSSA-N |
| Mol Weight | 578.65 g/mol |
| Molecular Formula | C25H382HNO12S |
| Exact Mass | 578.225574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6SPe3UTrEEk |
|---|---|
| Name | BENZYL-(6S)-[6-DEUTERIO]-2,3,4-TRI-O-ACETYL-6-O-SULFO-BETA-D-GLUCOPYRANOSIDE-TRIETHYLAMMONIUM-SALT |
| CAS Registry Number | 123674-15-7 |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H382HNO12S |
| InChI | InChI=1S/C19H24O12S.C6H15N/c1-11(20)28-16-15(10-27-32(23,24)25)31-19(26-9-14-7-5-4-6-8-14)18(30-13(3)22)17(16)29-12(2)21;1-4-7(5-2)6-3/h4-8,15-19H,9-10H2,1-3H3,(H,23,24,25);4-6H2,1-3H3/t15-,16-,17+,18-,19-;/m0./s1/i10D;/t10?,15-,16-,17+,18-,19-; |
| InChIKey | VLJQMZWXHWKGEF-ZRETZUDSSA-N |
| Literature Reference Author | B.MEYER,R.STUIKE-PRILL |
| Literature Reference Citation | J.ORG.CHEM.,55,902(1990) |
| Literature Reference DOI | 10.1021/jo00290a020 |
| Molecular Weight | 578.650 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS11982 |