| SpectraBase Compound ID | 2caz0W04tFJ |
|---|---|
| InChI | InChI=1S/C41H68O15/c1-19(52-37-33(46)32(45)31(44)28(18-42)55-37)24-12-15-41(48)26-9-8-22-16-23(10-13-39(22,4)25(26)11-14-40(24,41)5)54-29-17-27(49-6)35(21(3)51-29)56-38-34(47)36(50-7)30(43)20(2)53-38/h8,19-21,23-38,42-48H,9-18H2,1-7H3/t19-,20-,21+,23-,24+,25-,26+,27+,28-,29-,30-,31-,32+,33-,34-,35+,36+,37-,38+,39-,40+,41-/m0/s1 |
| InChIKey | SNQPRIMCIASXEP-OAFKYWCPSA-N |
| Mol Weight | 801.0 g/mol |
| Molecular Formula | C41H68O15 |
| Exact Mass | 800.455821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4A5nLMY5kCQ |
|---|---|
| Name | HOODIGOSIDE-Y;CALOGENIN-20-O-BETA-D-GLUCOPYRANOSYL-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H68O15 |
| InChI | InChI=1S/C41H68O15/c1-19(52-37-33(46)32(45)31(44)28(18-42)55-37)24-12-15-41(48)26-9-8-22-16-23(10-13-39(22,4)25(26)11-14-40(24,41)5)54-29-17-27(49-6)35(21(3)51-29)56-38-34(47)36(50-7)30(43)20(2)53-38/h8,19-21,23-38,42-48H,9-18H2,1-7H3/t19-,20-,21+,23-,24+,25-,26+,27+,28-,29-,30-,31-,32+,33-,34-,35+,36+,37-,38+,39-,40+,41-/m0/s1 |
| InChIKey | SNQPRIMCIASXEP-OAFKYWCPSA-N |
| Literature Reference Author | Y.J.SHUKLA,R.S.PAWAR,Y.DING,X.C.LI,D.FERREIRA,I.A.KHAN |
| Literature Reference Citation | PHYTOCHEM.,70,675(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.02.006 |
| Molecular Weight | 800.982 g/mol |
| Sample ID | 64649 |
| Solvent | C5D5N |