| SpectraBase Compound ID | GTKz1g98sJc |
|---|---|
| InChI | InChI=1S/C42H82O20S3.3Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(28-26-24-22-20-18-16-14-12-10-8-6-4-2)29-56-41-37(45)36(44)39(34(60-41)31-58-64(50,51)52)61-42-38(46)40(62-65(53,54)55)35(43)33(59-42)30-57-63(47,48)49;;;/h32-46H,3-31H2,1-2H3,(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3/t33-,34+,35+,36+,37+,38-,39+,40+,41+,42+;;;/m1.../s1 |
| InChIKey | KCCRUIZMGWWOSY-AVOLTDIDSA-K |
| Mol Weight | 1069.22330785 g/mol |
| Molecular Formula | C42H79Na3O20S3 |
| Exact Mass | 1068.401991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69XhQHD65EW |
|---|---|
| Name | 2-(TETRADECYL)-HEXADECYL-O-(3,6-DI-O-SULFO-BETA-D-GALACTOPYRANOSYL)-(1->4)-6-O-SULFO-BETA-D-GLUCOPYRANOSIDE-TRISODIUM-SALT |
| Compound Number | 13C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H79Na3O20S3 |
| InChI | InChI=1S/C42H82O20S3.3Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(28-26-24-22-20-18-16-14-12-10-8-6-4-2)29-56-41-37(45)36(44)39(34(60-41)31-58-64(50,51)52)61-42-38(46)40(62-65(53,54)55)35(43)33(59-42)30-57-63(47,48)49;;;/h32-46H,3-31H2,1-2H3,(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3/t33-,34+,35+,36+,37+,38-,39+,40+,41+,42+;;;/m1.../s1 |
| InChIKey | KCCRUIZMGWWOSY-AVOLTDIDSA-K |
| Literature Reference Author | T.IKAMI,N.TSURUTA,H.INAGAKI,T.KAKIGAMI,Y.MATSUMOTO,N.TOMIYA, T.JOMORI,T.USUI,Y.SU |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,797(1998) |
| Literature Reference DOI | 10.1248/cpb.46.797 |
| Molecular Weight | 1069.227 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS6346 |