| SpectraBase Compound ID | KUvwmffNzNd |
|---|---|
| InChI | InChI=1S/C48H78O18/c1-22-31(54)38(65-40-36(59)34(57)32(55)25(18-49)62-40)39(66-41-37(60)35(58)33(56)26(19-50)63-41)42(61-22)64-30-11-12-44(4)27(45(30,5)20-51)10-13-46(6)28(44)9-8-23-24-16-43(2,3)14-15-48(24,21-52)29(53)17-47(23,46)7/h8-9,22,24-27,29-42,49-60H,10-21H2,1-7H3/t22-,24-,25-,26+,27+,29-,30-,31+,32-,33+,34+,35-,36-,37+,38+,39-,40+,41-,42+,44-,45-,46+,47+,48+/m0/s1 |
| InChIKey | VJJSARXZCCCCEU-ALGHPYPQSA-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 | LK4hy6odpHW |
|---|---|
| Name | #9;PLEUROSAPONIN-I;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-FUCOPYRANOSYL-3-BETA,16-BETA,23,28-TETRAHYDROXY-OLEAN-9,12-DIEN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O18 |
| InChI | InChI=1S/C48H78O18/c1-22-31(54)38(65-40-36(59)34(57)32(55)25(18-49)62-40)39(66-41-37(60)35(58)33(56)26(19-50)63-41)42(61-22)64-30-11-12-44(4)27(45(30,5)20-51)10-13-46(6)28(44)9-8-23-24-16-43(2,3)14-15-48(24,21-52)29(53)17-47(23,46)7/h8-9,22,24-27,29-42,49-60H,10-21H2,1-7H3/t22-,24-,25-,26+,27+,29-,30-,31+,32-,33+,34+,35-,36-,37+,38+,39-,40+,41-,42+,44-,45-,46+,47+,48+/m0/s1 |
| InChIKey | VJJSARXZCCCCEU-ALGHPYPQSA-N |
| Literature Reference Author | I.K.LEE,S.U.CHOI,K.R.LEE |
| Literature Reference Citation | CHEM.PHARM.BULL.,60,1011(2012) |
| Literature Reference DOI | 10.1248/cpb.c12-00274 |
| Molecular Weight | 943.137 g/mol |
| Source File Reference | UWBT4488 |