| SpectraBase Compound ID | xj30Wf8QL4 |
|---|---|
| InChI | InChI=1S/C47H78O20/c1-19(49)25-12-14-47(57)26-10-9-23-15-24(11-13-45(23,5)32(26)34(52)42(56)46(25,47)6)63-30-16-27(50)38(20(2)60-30)65-31-17-28(58-7)39(21(3)61-31)66-44-37(55)41(59-8)40(22(4)62-44)67-43-36(54)35(53)33(51)29(18-48)64-43/h9,19-22,24-44,48-57H,10-18H2,1-8H3/t19-,20+,21-,22+,24-,25+,26+,27-,28+,29-,30+,31+,32+,33-,34-,35+,36-,37+,38-,39-,40+,41-,42+,43+,44-,45-,46-,47-/m0/s1 |
| InChIKey | SLQJNTVCPHOYBN-NSVHDPPWSA-N |
| Mol Weight | 963.1 g/mol |
| Molecular Formula | C47H78O20 |
| Exact Mass | 962.508645 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Da9sdjaqAN7 |
|---|---|
| Name | #2;VOLUBILOSIDE-B;DREVOGENIN-D-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYR |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H78O20 |
| InChI | InChI=1S/C47H78O20/c1-19(49)25-12-14-47(57)26-10-9-23-15-24(11-13-45(23,5)32(26)34(52)42(56)46(25,47)6)63-30-16-27(50)38(20(2)60-30)65-31-17-28(58-7)39(21(3)61-31)66-44-37(55)41(59-8)40(22(4)62-44)67-43-36(54)35(53)33(51)29(18-48)64-43/h9,19-22,24-44,48-57H,10-18H2,1-8H3/t19-,20+,21-,22+,24-,25+,26+,27-,28+,29-,30+,31+,32+,33-,34-,35+,36-,37+,38-,39-,40+,41-,42+,43+,44-,45-,46-,47-/m0/s1 |
| InChIKey | SLQJNTVCPHOYBN-NSVHDPPWSA-N |
| Literature Reference Author | N.P.SAHU,N.PANDA,N.B.MANDAL,S.BANERJEE,K.KOIKE,T.NIKAIDO |
| Literature Reference Citation | PHYTOCHEM.,61,383(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00260-1 |
| Molecular Weight | 963.124 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU29366 |