![VACCAROSIDE-G;3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-GYPSOGENIN-28-O-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1](/api/spectrum/4wHSVpJViqu/structure.png?h=300&w=458 "VACCAROSIDE-G;3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-GYPSOGENIN-28-O-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1")
| SpectraBase Compound ID | CyvCdvyRkdF |
|---|---|
| InChI | InChI=1S/C66H102O32/c1-25-47(93-54-43(79)36(72)30(71)23-86-54)42(78)46(82)55(87-25)97-52-51(96-56-44(80)38(74)32(22-68)91-56)48(89-27(3)70)26(2)88-59(52)98-60(85)66-18-16-61(4,5)20-29(66)28-10-11-34-62(6)14-13-35(63(7,24-69)33(62)12-15-65(34,9)64(28,8)17-19-66)92-58-50(41(77)40(76)49(94-58)53(83)84)95-57-45(81)39(75)37(73)31(21-67)90-57/h10,24-26,29-52,54-59,67-68,71-82H,11-23H2,1-9H3,(H,83,84)/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+,54+,55-,56-,57-,58+,59-,62-,63-,64+,65+,66-/m0/s1 |
| InChIKey | PMJVTIFXFFXIPK-KZCTZCSMSA-N |
| Mol Weight | 1407.5 g/mol |
| Molecular Formula | C66H102O32 |
| Exact Mass | 1406.635421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4wHSVpJViqu |
|---|---|
| Name | VACCAROSIDE-G;3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-GYPSOGENIN-28-O-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H102O32 |
| InChI | InChI=1S/C66H102O32/c1-25-47(93-54-43(79)36(72)30(71)23-86-54)42(78)46(82)55(87-25)97-52-51(96-56-44(80)38(74)32(22-68)91-56)48(89-27(3)70)26(2)88-59(52)98-60(85)66-18-16-61(4,5)20-29(66)28-10-11-34-62(6)14-13-35(63(7,24-69)33(62)12-15-65(34,9)64(28,8)17-19-66)92-58-50(41(77)40(76)49(94-58)53(83)84)95-57-45(81)39(75)37(73)31(21-67)90-57/h10,24-26,29-52,54-59,67-68,71-82H,11-23H2,1-9H3,(H,83,84)/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+,54+,55-,56-,57-,58+,59-,62-,63-,64+,65+,66-/m0/s1 |
| InChIKey | PMJVTIFXFFXIPK-KZCTZCSMSA-N |
| Literature Reference Author | Z.JIA,K.KOIKE,M.KUDO,H.LI,T.NIKAIDO |
| Literature Reference Citation | PHYTOCHEM.,48,529(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)01128-X |
| Molecular Weight | 1407.517 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS1070 |