| SpectraBase Compound ID | 7f3rSm3u0am |
|---|---|
| InChI | InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/t21-,22+,23+,24+,25-,26-,27+,28-,31-,32-,33+,34+,35-/m0/s1 |
| InChIKey | QUBNLZCADIYAFW-SWCYKJKVSA-N |
| Mol Weight | 604.8 g/mol |
| Molecular Formula | C35H56O8 |
| Exact Mass | 604.397519 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9OpAGh7pmc5 |
|---|---|
| Name | COLCHISIDE-A;3-O-(BETA-D-XYLOPYRANOSYL)-HEDERAGENIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H56O8 |
| InChI | InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/t21-,22+,23+,24+,25-,26-,27+,28-,31-,32-,33+,34+,35-/m0/s1 |
| InChIKey | QUBNLZCADIYAFW-SWCYKJKVSA-N |
| Literature Reference Author | V.MSHVILDADZE,R.ELIAS,R.FAURE,L.DEBRAUWER,G.DEKANOSIDZE,E.KE MERTELIDZE,G.BALANSA |
| Literature Reference Citation | CHEM.PHARM.BULL.,49,752(2001) |
| Literature Reference DOI | 10.1248/cpb.49.752 |
| Molecular Weight | 604.825 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU31728 |