| SpectraBase Compound ID | Lo1oStgkQTP |
|---|---|
| InChI | InChI=1S/C48H78O20/c1-20(50)26-13-15-48(57)27-11-10-24-16-25(12-14-46(24,5)33(27)35(52)43(56)47(26,48)6)64-31-17-28(58-7)39(21(2)61-31)66-32-18-29(59-8)40(22(3)62-32)67-45-38(55)42(60-9)41(23(4)63-45)68-44-37(54)36(53)34(51)30(19-49)65-44/h10,21-23,25-45,49,51-57H,11-19H2,1-9H3/t21-,22+,23-,25+,26-,27-,28+,29-,30+,31+,32-,33-,34+,35+,36-,37+,38-,39-,40+,41-,42+,43-,44-,45+,46+,47+,48+/m1/s1 |
| InChIKey | VQYKTYLGTBPBEW-LKENCIBSSA-N |
| Mol Weight | 975.1 g/mol |
| Molecular Formula | C48H78O20 |
| Exact Mass | 974.508645 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DTqTEKPqx0b |
|---|---|
| Name | #3;VOLUBILOSIDE-C;DREVOGENIN-P-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYARA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O20 |
| InChI | InChI=1S/C48H78O20/c1-20(50)26-13-15-48(57)27-11-10-24-16-25(12-14-46(24,5)33(27)35(52)43(56)47(26,48)6)64-31-17-28(58-7)39(21(2)61-31)66-32-18-29(59-8)40(22(3)62-32)67-45-38(55)42(60-9)41(23(4)63-45)68-44-37(54)36(53)34(51)30(19-49)65-44/h10,21-23,25-45,49,51-57H,11-19H2,1-9H3/t21-,22+,23-,25+,26-,27-,28+,29-,30+,31+,32-,33-,34+,35+,36-,37+,38-,39-,40+,41-,42+,43-,44-,45+,46+,47+,48+/m1/s1 |
| InChIKey | VQYKTYLGTBPBEW-LKENCIBSSA-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 | 975.135 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU29367 |