| SpectraBase Compound ID | 3EfpJt9MjAB |
|---|---|
| InChI | InChI=1S/C42H68O14/c1-20(2)21-9-14-42(37(52)56-36-34(51)32(49)30(47)24(55-36)18-53-35-33(50)31(48)29(46)23(17-43)54-35)16-15-40(5)22(28(21)42)7-8-26-38(3)12-11-27(45)39(4,19-44)25(38)10-13-41(26,40)6/h21-36,43-51H,1,7-19H2,2-6H3/t21-,22?,23+,24+,25?,26?,27-,28?,29+,30+,31-,32-,33+,34+,35+,36-,38-,39-,40+,41+,42-/m0/s1 |
| InChIKey | PVVJZDLOKFUBNE-DVMJZWBVSA-N |
| Mol Weight | 797.0 g/mol |
| Molecular Formula | C42H68O14 |
| Exact Mass | 796.460907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AD8PnL94dvU |
|---|---|
| Name | PULSATILLOSIDE-B;3-BETA,23-DIHYDROXY-LUP-20(29)-EN-28-OIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O14 |
| InChI | InChI=1S/C42H68O14/c1-20(2)21-9-14-42(37(52)56-36-34(51)32(49)30(47)24(55-36)18-53-35-33(50)31(48)29(46)23(17-43)54-35)16-15-40(5)22(28(21)42)7-8-26-38(3)12-11-27(45)39(4,19-44)25(38)10-13-41(26,40)6/h21-36,43-51H,1,7-19H2,2-6H3/t21-,22?,23+,24+,25?,26?,27-,28?,29+,30+,31-,32-,33+,34+,35+,36-,38-,39-,40+,41+,42-/m0/s1 |
| InChIKey | PVVJZDLOKFUBNE-DVMJZWBVSA-N |
| Literature Reference Author | W.C.YE,N.N.JI,S.X.ZHAO,J.H.LIU,T.YE,M.A.MCKERVEY,P.STEVENSON |
| Literature Reference Citation | PHYTOCHEM.,42,799(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00043-X |
| Molecular Weight | 796.994 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU3601 |