| SpectraBase Compound ID | 6fipdRMQYMD |
|---|---|
| InChI | InChI=1S/C48H78O18/c1-21(2)23-10-15-48(17-16-46(6)24(30(23)48)8-9-28-44(4)13-12-29(51)45(5,20-50)27(44)11-14-47(28,46)7)43(60)66-42-37(58)34(55)32(53)26(64-42)19-61-40-38(59)35(56)39(25(18-49)63-40)65-41-36(57)33(54)31(52)22(3)62-41/h22-42,49-59H,1,8-20H2,2-7H3/t22-,23+,24?,25-,26-,27?,28?,29+,30?,31-,32-,33+,34+,35-,36+,37-,38-,39-,40-,41-,42+,44+,45-,46-,47-,48+/m1/s1 |
| InChIKey | VNTZDFZAGFBUPV-SLRHDKOGSA-N |
| Mol Weight | 943.1 g/mol |
| Molecular Formula | C48H78O18 |
| Exact Mass | 942.518816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DUs6gAhncsM |
|---|---|
| Name | PULSATILLOSIDE;3-BETA,23-DIHYDRXYLUP-20-(29)-EN-28-OIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O18 |
| InChI | InChI=1S/C48H78O18/c1-21(2)23-10-15-48(17-16-46(6)24(30(23)48)8-9-28-44(4)13-12-29(51)45(5,20-50)27(44)11-14-47(28,46)7)43(60)66-42-37(58)34(55)32(53)26(64-42)19-61-40-38(59)35(56)39(25(18-49)63-40)65-41-36(57)33(54)31(52)22(3)62-41/h22-42,49-59H,1,8-20H2,2-7H3/t22-,23+,24?,25-,26-,27?,28?,29+,30?,31-,32-,33+,34+,35-,36+,37-,38-,39-,40-,41-,42+,44+,45-,46-,47-,48+/m1/s1 |
| InChIKey | VNTZDFZAGFBUPV-SLRHDKOGSA-N |
| Literature Reference Author | W.YE,A.HE,S.ZHAO,C.T.CHE |
| Literature Reference Citation | J.NAT.PROD.,61,658(1998) |
| Literature Reference DOI | 10.1021/np9704821 |
| Molecular Weight | 943.137 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWMZ372 |