![BARRINGTOSIDE-A;BARRIGTOGENOL-C-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSIDE-METHYLESTER](/api/spectrum/IvfcNVmpLst/structure.png?h=300&w=458 "BARRINGTOSIDE-A;BARRIGTOGENOL-C-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSIDE-METHYLESTER")
| SpectraBase Compound ID | 1Oh6O2ELOmv |
|---|---|
| InChI | InChI=1S/C48H78O20/c1-43(2)15-21-20-9-10-25-45(5)13-12-27(44(3,4)24(45)11-14-46(25,6)47(20,7)16-26(52)48(21,19-50)38(60)37(43)59)65-42-36(68-41-32(57)30(55)29(54)23(17-49)64-41)34(33(58)35(67-42)39(61)62-8)66-40-31(56)28(53)22(51)18-63-40/h9,21-38,40-42,49-60H,10-19H2,1-8H3/t21-,22+,23-,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,40-,41+,42+,45-,46+,47+,48-/m0/s1 |
| InChIKey | AUAUJRWCSZVXOE-MNRUDYBISA-N |
| Mol Weight | 975.1 g/mol |
| Molecular Formula | C48H78O20 |
| Exact Mass | 974.508645 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IvfcNVmpLst |
|---|---|
| Name | BARRINGTOSIDE-A;BARRIGTOGENOL-C-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSIDE-METHYLESTER |
| Compound Number | 1' |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O20 |
| InChI | InChI=1S/C48H78O20/c1-43(2)15-21-20-9-10-25-45(5)13-12-27(44(3,4)24(45)11-14-46(25,6)47(20,7)16-26(52)48(21,19-50)38(60)37(43)59)65-42-36(68-41-32(57)30(55)29(54)23(17-49)64-41)34(33(58)35(67-42)39(61)62-8)66-40-31(56)28(53)22(51)18-63-40/h9,21-38,40-42,49-60H,10-19H2,1-8H3/t21-,22+,23-,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,40-,41+,42+,45-,46+,47+,48-/m0/s1 |
| InChIKey | AUAUJRWCSZVXOE-MNRUDYBISA-N |
| Literature Reference Author | B.C.PAL,T.CHAUDHURI,K.YOSHIKAWA,S.ARIHARA |
| Literature Reference Citation | PHYTOCHEM.,35,1315(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)94845-3 |
| Molecular Weight | 975.135 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS24544 |