![RUBICUNOSIDE-C;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANO](/api/spectrum/FU26CReO1pM/structure.png?h=300&w=458 "RUBICUNOSIDE-C;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANO")
| SpectraBase Compound ID | BkcuvXGmGSk |
|---|---|
| InChI | InChI=1S/C72H112O38/c1-25-51(104-59-44(86)38(80)30(77)22-96-59)42(84)47(89)61(98-25)105-52-26(2)99-64(56(49(52)91)108-63-48(90)43(85)53(100-27(3)76)33(21-74)102-63)110-66(95)72-17-16-67(4,5)18-29(72)28-10-11-35-68(6)14-13-37(69(7,24-75)34(68)12-15-70(35,8)71(28,9)19-36(72)79)103-65-57(109-62-46(88)41(83)40(82)32(20-73)101-62)54(50(92)55(107-65)58(93)94)106-60-45(87)39(81)31(78)23-97-60/h10,24-26,29-57,59-65,73-74,77-92H,11-23H2,1-9H3,(H,93,94)/t25-,26+,29?,30-,31+,32-,33+,34?,35?,36+,37-,38+,39-,40+,41+,42-,43+,44-,45+,46-,47+,48+,49-,50-,51-,52-,53+,54-,55-,56+,57+,59+,60-,61-,62+,63-,64-,65+,68-,69-,70+,71+,72+/m0/s1 |
| InChIKey | WWXTUQDTGKVRDN-TXGDNKASSA-N |
| Mol Weight | 1585.6 g/mol |
| Molecular Formula | C72H112O38 |
| Exact Mass | 1584.683159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FU26CReO1pM |
|---|---|
| Name | RUBICUNOSIDE-C;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANO |
| Compound Number | 148 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H112O38 |
| InChI | InChI=1S/C72H112O38/c1-25-51(104-59-44(86)38(80)30(77)22-96-59)42(84)47(89)61(98-25)105-52-26(2)99-64(56(49(52)91)108-63-48(90)43(85)53(100-27(3)76)33(21-74)102-63)110-66(95)72-17-16-67(4,5)18-29(72)28-10-11-35-68(6)14-13-37(69(7,24-75)34(68)12-15-70(35,8)71(28,9)19-36(72)79)103-65-57(109-62-46(88)41(83)40(82)32(20-73)101-62)54(50(92)55(107-65)58(93)94)106-60-45(87)39(81)31(78)23-97-60/h10,24-26,29-57,59-65,73-74,77-92H,11-23H2,1-9H3,(H,93,94)/t25-,26+,29?,30-,31+,32-,33+,34?,35?,36+,37-,38+,39-,40+,41+,42-,43+,44-,45+,46-,47+,48+,49-,50-,51-,52-,53+,54-,55-,56+,57+,59+,60-,61-,62+,63-,64-,65+,68-,69-,70+,71+,72+/m0/s1 |
| InChIKey | WWXTUQDTGKVRDN-TXGDNKASSA-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 | 1585.658 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1319 |