![SQUARROSIDE-I;(22S,24Z)-CYCLOART-24-EN-3-BETA,22,26-TRIOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-FUCOPYRANOSIDE](/api/spectrum/DNErj6EVnHT/structure.png?h=300&w=458 "SQUARROSIDE-I;(22S,24Z)-CYCLOART-24-EN-3-BETA,22,26-TRIOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-FUCOPYRANOSIDE")
| SpectraBase Compound ID | 5X6nxfus62p |
|---|---|
| InChI | InChI=1S/C48H80O16/c1-22(19-49)9-10-27(51)23(2)26-13-15-46(8)30-12-11-29-44(5,6)31(14-16-47(29)21-48(30,47)18-17-45(26,46)7)62-43-40(64-41-36(56)34(54)32(52)24(3)59-41)38(58)39(25(4)60-43)63-42-37(57)35(55)33(53)28(20-50)61-42/h9,23-43,49-58H,10-21H2,1-8H3/b22-9+/t23-,24-,25+,26+,27+,28+,29-,30-,31-,32-,33+,34+,35-,36+,37+,38-,39-,40+,41-,42-,43-,45+,46-,47+,48-/m0/s1 |
| InChIKey | BGNWSRYEYDYZKE-YGWSQQSSSA-N |
| Mol Weight | 913.2 g/mol |
| Molecular Formula | C48H80O16 |
| Exact Mass | 912.544636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DNErj6EVnHT |
|---|---|
| Name | SQUARROSIDE-I;(22S,24Z)-CYCLOART-24-EN-3-BETA,22,26-TRIOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-FUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H80O16 |
| InChI | InChI=1S/C48H80O16/c1-22(19-49)9-10-27(51)23(2)26-13-15-46(8)30-12-11-29-44(5,6)31(14-16-47(29)21-48(30,47)18-17-45(26,46)7)62-43-40(64-41-36(56)34(54)32(52)24(3)59-41)38(58)39(25(4)60-43)63-42-37(57)35(55)33(53)28(20-50)61-42/h9,23-43,49-58H,10-21H2,1-8H3/b22-9+/t23-,24-,25+,26+,27+,28+,29-,30-,31-,32-,33+,34+,35-,36+,37+,38-,39-,40+,41-,42-,43-,45+,46-,47+,48-/m0/s1 |
| InChIKey | BGNWSRYEYDYZKE-YGWSQQSSSA-N |
| Literature Reference Author | H.YOSHIMITSU,M.NISHIDA,Z.Z.QIAN,Z.H.LEI,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,828(2000) |
| Literature Reference DOI | 10.1248/cpb.48.828 |
| Molecular Weight | 913.154 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5161 |