![VACCAROSIDE-D;3,4-SECOGYPSOGENIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/KBE9GuK1DWe/structure.png?h=300&w=458 "VACCAROSIDE-D;3,4-SECOGYPSOGENIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 4YZ9Bt6tgPB |
|---|---|
| InChI | InChI=1S/C54H86O25/c1-23(44(69)70)24-10-12-53(6)31(51(24,4)11-7-17-55)9-8-25-26-18-50(2,3)13-15-54(26,16-14-52(25,53)5)49(71)79-47-41(68)42(77-45-39(66)36(63)32(59)27(19-56)73-45)35(62)30(76-47)22-72-48-43(38(65)34(61)29(21-58)75-48)78-46-40(67)37(64)33(60)28(20-57)74-46/h8,24,26-43,45-48,55-68H,1,7,9-22H2,2-6H3,(H,69,70)/t24?,26?,27-,28+,29+,30+,31?,32-,33+,34+,35+,36+,37-,38-,39-,40+,41+,42-,43+,45+,46-,47-,48+,51-,52+,53+,54-/m0/s1 |
| InChIKey | QCSJRNNSTFHPAZ-JLIYFRKUSA-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 | KBE9GuK1DWe |
|---|---|
| Name | VACCAROSIDE-D;3,4-SECOGYPSOGENIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86O25 |
| InChI | InChI=1S/C54H86O25/c1-23(44(69)70)24-10-12-53(6)31(51(24,4)11-7-17-55)9-8-25-26-18-50(2,3)13-15-54(26,16-14-52(25,53)5)49(71)79-47-41(68)42(77-45-39(66)36(63)32(59)27(19-56)73-45)35(62)30(76-47)22-72-48-43(38(65)34(61)29(21-58)75-48)78-46-40(67)37(64)33(60)28(20-57)74-46/h8,24,26-43,45-48,55-68H,1,7,9-22H2,2-6H3,(H,69,70)/t24?,26?,27-,28+,29+,30+,31?,32-,33+,34+,35+,36+,37-,38-,39-,40+,41+,42-,43+,45+,46-,47-,48+,51-,52+,53+,54-/m0/s1 |
| InChIKey | QCSJRNNSTFHPAZ-JLIYFRKUSA-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 | UWMS738 |