![VACCAROSIDE-A;GYPSOGENIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->6)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/6nxGOiQtNug/structure.png?h=300&w=458 "VACCAROSIDE-A;GYPSOGENIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->6)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | Fpsz9Mp58My |
|---|---|
| InChI | InChI=1S/C54H86O25/c1-49(2)13-15-54(16-14-51(4)22(23(54)17-49)7-8-28-50(3)11-10-30(58)53(6,47(69)70)29(50)9-12-52(28,51)5)48(71)79-45-40(68)41(77-43-38(66)35(63)31(59)24(18-55)73-43)34(62)27(76-45)21-72-46-42(37(65)33(61)26(20-57)75-46)78-44-39(67)36(64)32(60)25(19-56)74-44/h7,23-46,55-68H,8-21H2,1-6H3,(H,69,70)/t23?,24-,25+,26+,27+,28?,29?,30-,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41-,42+,43+,44-,45-,46+,50+,51+,52+,53-,54-/m0/s1 |
| InChIKey | IVOKGTCMOJXNCF-IUKYWQGJSA-N |
| Mol Weight | 1135.3 g/mol |
| Molecular Formula | C54H86O25 |
| Exact Mass | 1134.545818 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6nxGOiQtNug |
|---|---|
| Name | VACCAROSIDE-A;GYPSOGENIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->6)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86O25 |
| InChI | InChI=1S/C54H86O25/c1-49(2)13-15-54(16-14-51(4)22(23(54)17-49)7-8-28-50(3)11-10-30(58)53(6,47(69)70)29(50)9-12-52(28,51)5)48(71)79-45-40(68)41(77-43-38(66)35(63)31(59)24(18-55)73-43)34(62)27(76-45)21-72-46-42(37(65)33(61)26(20-57)75-46)78-44-39(67)36(64)32(60)25(19-56)74-44/h7,23-46,55-68H,8-21H2,1-6H3,(H,69,70)/t23?,24-,25+,26+,27+,28?,29?,30-,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41-,42+,43+,44-,45-,46+,50+,51+,52+,53-,54-/m0/s1 |
| InChIKey | IVOKGTCMOJXNCF-IUKYWQGJSA-N |
| Literature Reference Author | K.KOIKE,Z.JIA,T.NIKAIDO |
| Literature Reference Citation | PHYTOCHEM.,47,1343(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00707-3 |
| Molecular Weight | 1135.262 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS735 |