| SpectraBase Compound ID | 2VFAAycqWch |
|---|---|
| InChI | InChI=1S/C49H80O17/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/h13,23-27,30-34,36-46,50,53-55H,14-22H2,1-12H3/t24?,25-,26-,27+,30+,31-,32-,33+,34-,36+,37-,38-,39-,40-,41-,42+,43+,44-,45-,46+,47+,48+,49+/m1/s1 |
| InChIKey | LLIYLAIGJSAESV-YVQRRCCXSA-N |
| Mol Weight | 941.2 g/mol |
| Molecular Formula | C49H80O17 |
| Exact Mass | 940.539551 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1pVu3mRXhtR |
|---|---|
| Name | DREBYSSOGENIN-G-3-O-6-DEOXY-3-O-METHYL-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 | C49H80O17 |
| InChI | InChI=1S/C49H80O17/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/h13,23-27,30-34,36-46,50,53-55H,14-22H2,1-12H3/t24?,25-,26-,27+,30+,31-,32-,33+,34-,36+,37-,38-,39-,40-,41-,42+,43+,44-,45-,46+,47+,48+,49+/m1/s1 |
| InChIKey | LLIYLAIGJSAESV-YVQRRCCXSA-N |
| Literature Reference Author | S.I.YOSHIMURA,H.NARITA,K.HAYASHI,H.MITSUHASHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,33,2287(1985) |
| Literature Reference DOI | 10.1248/cpb.33.2287 |
| Molecular Weight | 941.164 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1223 |