| SpectraBase Compound ID | D0CuzoK2rvs |
|---|---|
| InChI | InChI=1S/C49H78O17/c1-23(2)19-35(52)64-45-43(62-28(7)51)38-32(49(55)18-16-31(24(3)50)48(45,49)9)14-13-29-20-30(15-17-47(29,38)8)63-36-21-33(56-10)41(26(5)59-36)65-37-22-34(57-11)42(27(6)60-37)66-46-40(54)44(58-12)39(53)25(4)61-46/h13,23,25-27,30-34,36-46,53-55H,14-22H2,1-12H3/t25-,26-,27+,30+,31-,32-,33+,34-,36+,37-,38-,39-,40-,41-,42+,43+,44-,45-,46+,47+,48+,49+/m1/s1 |
| InChIKey | YBYQJMJCNJMYGM-IBVNLORBSA-N |
| Mol Weight | 939.1 g/mol |
| Molecular Formula | C49H78O17 |
| Exact Mass | 938.523901 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AZT7KNwZGL3 |
|---|---|
| Name | DREVOGENIN-A-3-O-3-O-METHYL-6-DEOXY-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H78O17 |
| InChI | InChI=1S/C49H78O17/c1-23(2)19-35(52)64-45-43(62-28(7)51)38-32(49(55)18-16-31(24(3)50)48(45,49)9)14-13-29-20-30(15-17-47(29,38)8)63-36-21-33(56-10)41(26(5)59-36)65-37-22-34(57-11)42(27(6)60-37)66-46-40(54)44(58-12)39(53)25(4)61-46/h13,23,25-27,30-34,36-46,53-55H,14-22H2,1-12H3/t25-,26-,27+,30+,31-,32-,33+,34-,36+,37-,38-,39-,40-,41-,42+,43+,44-,45-,46+,47+,48+,49+/m1/s1 |
| InChIKey | YBYQJMJCNJMYGM-IBVNLORBSA-N |
| Literature Reference Author | S.I.YOSHIMURA,H.NARITA,K.HAYASHI,H.MITSUHASHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,31,3971(1983) |
| Literature Reference DOI | 10.1248/cpb.31.3971 |
| Molecular Weight | 939.148 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1186 |