| SpectraBase Compound ID | 4Fv7Jf4Hbzn |
|---|---|
| InChI | InChI=1S/C49H82O18/c1-22(50)29-15-17-49(55)30-13-12-27-18-28(14-16-47(27,6)37(30)39(52)45(54)48(29,49)7)64-34-19-31(56-8)41(24(3)60-34)65-35-20-32(57-9)42(25(4)61-35)66-36-21-33(58-10)43(26(5)62-36)67-46-40(53)44(59-11)38(51)23(2)63-46/h12,22-26,28-46,50-55H,13-21H2,1-11H3/t22?,23-,24+,25-,26+,28-,29+,30+,31-,32+,33+,34-,35+,36-,37+,38-,39-,40-,41+,42-,43+,44-,45+,46+,47-,48-,49-/m0/s1 |
| InChIKey | BCRUKMUQPVVQRB-XBJQUARESA-N |
| Mol Weight | 959.2 g/mol |
| Molecular Formula | C49H82O18 |
| Exact Mass | 958.550116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GmpmxHI5oNv |
|---|---|
| Name | DREVOGENIN-D-3-O-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(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 | C49H82O18 |
| InChI | InChI=1S/C49H82O18/c1-22(50)29-15-17-49(55)30-13-12-27-18-28(14-16-47(27,6)37(30)39(52)45(54)48(29,49)7)64-34-19-31(56-8)41(24(3)60-34)65-35-20-32(57-9)42(25(4)61-35)66-36-21-33(58-10)43(26(5)62-36)67-46-40(53)44(59-11)38(51)23(2)63-46/h12,22-26,28-46,50-55H,13-21H2,1-11H3/t22?,23-,24+,25-,26+,28-,29+,30+,31-,32+,33+,34-,35+,36-,37+,38-,39-,40-,41+,42-,43+,44-,45+,46+,47-,48-,49-/m0/s1 |
| InChIKey | BCRUKMUQPVVQRB-XBJQUARESA-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 | 959.179 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1219 |