![#2;(3-O-[(S)-1-(OXYCARBONYL)-2-CYCLOHEXYL-ETHYLOXY]-BETA-D-GALACTOPYRANOSYL)-O-(1->3)-[ALPHA-L-FUCOPYRANOSYL-O-(1->4)]-1,2-DIDEOXY-D-GLUCOPYRANOSE-SODIUM-SALT](/api/spectrum/GPnI3xjRE4g/structure.png?h=300&w=458 "#2;(3-O-[(S)-1-(OXYCARBONYL)-2-CYCLOHEXYL-ETHYLOXY]-BETA-D-GALACTOPYRANOSYL)-O-(1->3)-[ALPHA-L-FUCOPYRANOSYL-O-(1->4)]-1,2-DIDEOXY-D-GLUCOPYRANOSE-SODIUM-SALT")
| SpectraBase Compound ID | BTO4RhUVDYX |
|---|---|
| InChI | InChI=1S/C27H46O15.Na/c1-12-18(30)20(32)21(33)26(38-12)42-23-14(7-8-37-17(23)11-29)40-27-22(34)24(19(31)16(10-28)41-27)39-15(25(35)36)9-13-5-3-2-4-6-13;/h12-24,26-34H,2-11H2,1H3,(H,35,36);/q;+1/p-1/t12-,14+,15-,16-,17+,18+,19-,20+,21-,22-,23-,24+,26-,27-;/m1./s1 |
| InChIKey | QOKZXZWETXRJDT-NKPYBERGSA-M |
| Mol Weight | 632.6 g/mol |
| Molecular Formula | C27H45NaO15 |
| Exact Mass | 632.265615 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GPnI3xjRE4g |
|---|---|
| Name | #2;(3-O-[(S)-1-(OXYCARBONYL)-2-CYCLOHEXYL-ETHYLOXY]-BETA-D-GALACTOPYRANOSYL)-O-(1->3)-[ALPHA-L-FUCOPYRANOSYL-O-(1->4)]-1,2-DIDEOXY-D-GLUCOPYRANOSE-SODIUM-SALT |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H45NaO15 |
| InChI | InChI=1S/C27H46O15.Na/c1-12-18(30)20(32)21(33)26(38-12)42-23-14(7-8-37-17(23)11-29)40-27-22(34)24(19(31)16(10-28)41-27)39-15(25(35)36)9-13-5-3-2-4-6-13;/h12-24,26-34H,2-11H2,1H3,(H,35,36);/q;+1/p-1/t12-,14+,15-,16-,17+,18+,19-,20+,21-,22-,23-,24+,26-,27-;/m1./s1 |
| InChIKey | QOKZXZWETXRJDT-NKPYBERGSA-M |
| Literature Reference Author | S.HANESSIAN,V.MASCITTI,O.ROGEL |
| Literature Reference Citation | J.ORG.CHEM.,67,3346(2002) |
| Literature Reference DOI | 10.1021/jo0110956 |
| Molecular Weight | 632.635 g/mol |
| Solvent | D2O |
| Source File Reference | UWMS24783 |