| SpectraBase Compound ID | B5UOV1nft24 |
|---|---|
| InChI | InChI=1S/C49H78O19/c1-44(2)15-17-49(43(61)68-41-36(59)32(55)30(53)25(21-51)64-41)18-16-47(6)22(23(49)19-44)9-10-27-46(5)13-12-28(45(3,4)26(46)11-14-48(27,47)7)65-42-38(34(57)33(56)37(66-42)39(60)62-8)67-40-35(58)31(54)29(52)24(20-50)63-40/h9,23-38,40-42,50-59H,10-21H2,1-8H3/t23?,24-,25-,26?,27?,28+,29-,30-,31+,32+,33+,34+,35-,36-,37+,38-,40+,41+,42-,46+,47-,48-,49+/m1/s1 |
| InChIKey | PYRYQDQZMLGNFX-QLJZFXKWSA-N |
| Mol Weight | 971.1 g/mol |
| Molecular Formula | C49H78O19 |
| Exact Mass | 970.51373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AKChNeHLsQ8 |
|---|---|
| Name | CHIKUSETSUSAPONIN-V-METHYLESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H78O19 |
| InChI | InChI=1S/C49H78O19/c1-44(2)15-17-49(43(61)68-41-36(59)32(55)30(53)25(21-51)64-41)18-16-47(6)22(23(49)19-44)9-10-27-46(5)13-12-28(45(3,4)26(46)11-14-48(27,47)7)65-42-38(34(57)33(56)37(66-42)39(60)62-8)67-40-35(58)31(54)29(52)24(20-50)63-40/h9,23-38,40-42,50-59H,10-21H2,1-8H3/t23?,24-,25-,26?,27?,28+,29-,30-,31+,32+,33+,34+,35-,36-,37+,38-,40+,41+,42-,46+,47-,48-,49+/m1/s1 |
| InChIKey | PYRYQDQZMLGNFX-QLJZFXKWSA-N |
| Literature Reference Author | A.C.MITAINE-OFFER,A.MAROUF,B.HANQUET,N.BIRLIRAKIS,M.A.LACAIL LE-DUBOIS |
| Literature Reference Citation | CHEM.PHARM.BULL.,49,1492(2001) |
| Literature Reference DOI | 10.1248/cpb.49.1492 |
| Molecular Weight | 971.147 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN29078 |