| SpectraBase Compound ID | ANaRueDCQVi |
|---|---|
| InChI | InChI=1S/C45H72O19/c1-18-7-10-45(57-17-18)19(2)30-25(64-45)12-24-22-6-5-20-11-21(8-9-43(20,3)23(22)13-29(49)44(24,30)4)58-40-37(56)35(54)38(28(16-48)61-40)62-42-39(34(53)32(51)27(15-47)60-42)63-41-36(55)33(52)31(50)26(14-46)59-41/h18-28,30-42,46-48,50-56H,5-17H2,1-4H3/t18-,19+,20?,21+,22+,23+,24+,25+,26+,27+,28+,30+,31+,32+,33-,34-,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m1/s1 |
| InChIKey | TWCMWEWZAVFALI-NEVJCQDVSA-N |
| Mol Weight | 917.1 g/mol |
| Molecular Formula | C45H72O19 |
| Exact Mass | 916.46678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KlFeM0KklY5 |
|---|---|
| Name | HECOGENIN_3-O-BETA-GLUCOPYRANOSYL-(1->2)-BETA-GLUCOPYR.(1->4)-BETA-GALACTOPYRANO-SIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O19 |
| InChI | InChI=1S/C45H72O19/c1-18-7-10-45(57-17-18)19(2)30-25(64-45)12-24-22-6-5-20-11-21(8-9-43(20,3)23(22)13-29(49)44(24,30)4)58-40-37(56)35(54)38(28(16-48)61-40)62-42-39(34(53)32(51)27(15-47)60-42)63-41-36(55)33(52)31(50)26(14-46)59-41/h18-28,30-42,46-48,50-56H,5-17H2,1-4H3/t18-,19+,20?,21+,22+,23+,24+,25+,26+,27+,28+,30+,31+,32+,33-,34-,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m1/s1 |
| InChIKey | TWCMWEWZAVFALI-NEVJCQDVSA-N |
| Literature Reference Author | Y.X.XU,H.S.CHEN,H.Q.LIANG,Z.B.GU,W.Y.LIU,W.H.LEUNG,T.J.LI |
| Literature Reference Citation | PLANTA.MED.,66,545(2000) |
| Literature Reference DOI | 10.1055/s-2000-8609 |
| Molecular Weight | 917.055 g/mol |
| Solvent | PYRIDINE |
| Source File Reference | UIAP1456 |