| SpectraBase Compound ID | BN5qN274bkE |
|---|---|
| InChI | InChI=1S/C44H70O18/c1-18-7-10-44(56-16-18)19(2)30-26(62-44)12-24-22-6-5-20-11-21(8-9-42(20,3)23(22)13-29(48)43(24,30)4)57-40-35(53)33(51)37(28(15-46)59-40)60-41-36(54)38(32(50)27(14-45)58-41)61-39-34(52)31(49)25(47)17-55-39/h18-28,30-41,45-47,49-54H,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-/m1/s1 |
| InChIKey | PYXXNGZZGCXFPG-RURZJBJGSA-N |
| Mol Weight | 887.0 g/mol |
| Molecular Formula | C44H70O18 |
| Exact Mass | 886.456215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7v6uORsO7Oj |
|---|---|
| Name | HECOGENIN_3-O-BETA-XYLOPYRANOSYL-(1->3)-BETA-GLUCOPYRANOSYL-(1->4)-BETA-GALACTO-PYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H70O18 |
| InChI | InChI=1S/C44H70O18/c1-18-7-10-44(56-16-18)19(2)30-26(62-44)12-24-22-6-5-20-11-21(8-9-42(20,3)23(22)13-29(48)43(24,30)4)57-40-35(53)33(51)37(28(15-46)59-40)60-41-36(54)38(32(50)27(14-45)58-41)61-39-34(52)31(49)25(47)17-55-39/h18-28,30-41,45-47,49-54H,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-/m1/s1 |
| InChIKey | PYXXNGZZGCXFPG-RURZJBJGSA-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 | 887.029 g/mol |
| Solvent | PYRIDINE |
| Source File Reference | UIAP1455 |