![VACCAROSIDE-E;3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL](/api/spectrum/82I64zf2nr4/structure.png?h=300&w=458 "VACCAROSIDE-E;3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL")
| SpectraBase Compound ID | 516o3qdhHfU |
|---|---|
| InChI | InChI=1S/C66H102O33/c1-24-47(94-54-43(80)36(73)29(71)22-87-54)42(79)46(83)55(88-24)98-52-51(97-56-44(81)38(75)31(21-68)92-56)48(90-26(3)70)25(2)89-59(52)99-60(86)66-17-16-61(4,5)18-28(66)27-10-11-33-62(6)14-13-35(63(7,23-69)32(62)12-15-64(33,8)65(27,9)19-34(66)72)93-58-50(41(78)40(77)49(95-58)53(84)85)96-57-45(82)39(76)37(74)30(20-67)91-57/h10,23-25,28-52,54-59,67-68,71-83H,11-22H2,1-9H3,(H,84,85)/t24-,25+,28?,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 | BRAWHUQNAZTSAF-GXBJUJIPSA-N |
| Mol Weight | 1423.5 g/mol |
| Molecular Formula | C66H102O33 |
| Exact Mass | 1422.630336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 82I64zf2nr4 |
|---|---|
| Name | VACCAROSIDE-E;3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H102O33 |
| InChI | InChI=1S/C66H102O33/c1-24-47(94-54-43(80)36(73)29(71)22-87-54)42(79)46(83)55(88-24)98-52-51(97-56-44(81)38(75)31(21-68)92-56)48(90-26(3)70)25(2)89-59(52)99-60(86)66-17-16-61(4,5)18-28(66)27-10-11-33-62(6)14-13-35(63(7,23-69)32(62)12-15-64(33,8)65(27,9)19-34(66)72)93-58-50(41(78)40(77)49(95-58)53(84)85)96-57-45(82)39(76)37(74)30(20-67)91-57/h10,23-25,28-52,54-59,67-68,71-83H,11-22H2,1-9H3,(H,84,85)/t24-,25+,28?,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 | BRAWHUQNAZTSAF-GXBJUJIPSA-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 | 1423.516 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS1068 |