![DUBIOSIDE-C;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAM](/api/spectrum/A0cd2mX3DWi/structure.png?h=300&w=458 "DUBIOSIDE-C;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAM")
| SpectraBase Compound ID | RCgJYIjl8E |
|---|---|
| InChI | InChI=1S/C64H100O32/c1-24-46(91-53-45(81)47(29(69)22-86-53)92-52-42(78)35(71)27(67)20-85-52)41(77)44(80)54(88-24)94-49-36(72)28(68)21-87-56(49)96-58(83)64-16-15-59(2,3)17-26(64)25-9-10-32-60(4)13-12-34(61(5,23-66)31(60)11-14-62(32,6)63(25,7)18-33(64)70)90-57-50(40(76)39(75)48(93-57)51(82)84-8)95-55-43(79)38(74)37(73)30(19-65)89-55/h9,23-24,26-50,52-57,65,67-81H,10-22H2,1-8H3/t24-,26?,27-,28-,29-,30+,31?,32?,33+,34-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-,47+,48-,49+,50+,52+,53+,54-,55-,56-,57+,60-,61-,62+,63+,64+/m0/s1 |
| InChIKey | MPCCGOIDFAFBHS-RQKWDFIGSA-N |
| Mol Weight | 1381.5 g/mol |
| Molecular Formula | C64H100O32 |
| Exact Mass | 1380.619771 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A0cd2mX3DWi |
|---|---|
| Name | DUBIOSIDE-C;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAM |
| Compound Number | 162 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H100O32 |
| InChI | InChI=1S/C64H100O32/c1-24-46(91-53-45(81)47(29(69)22-86-53)92-52-42(78)35(71)27(67)20-85-52)41(77)44(80)54(88-24)94-49-36(72)28(68)21-87-56(49)96-58(83)64-16-15-59(2,3)17-26(64)25-9-10-32-60(4)13-12-34(61(5,23-66)31(60)11-14-62(32,6)63(25,7)18-33(64)70)90-57-50(40(76)39(75)48(93-57)51(82)84-8)95-55-43(79)38(74)37(73)30(19-65)89-55/h9,23-24,26-50,52-57,65,67-81H,10-22H2,1-8H3/t24-,26?,27-,28-,29-,30+,31?,32?,33+,34-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-,47+,48-,49+,50+,52+,53+,54-,55-,56-,57+,60-,61-,62+,63+,64+/m0/s1 |
| InChIKey | MPCCGOIDFAFBHS-RQKWDFIGSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 1381.479 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1323 |