| SpectraBase Compound ID | KHfywvlxPGh |
|---|---|
| InChI | InChI=1S/C48H76O19/c1-43(2)14-16-48(42(60)61)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(33(56)32(55)35(65-41)38(58)59)67-40-36(31(54)29(52)24(20-50)63-40)66-39-34(57)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-57H,9-20H2,1-7H3,(H,58,59)(H,60,61)/t22?,23-,24-,25?,26?,27+,28-,29+,30+,31+,32+,33+,34-,35+,36-,37-,39+,40+,41-,45+,46-,47-,48+/m1/s1 |
| InChIKey | PPXSTGDJSPLJCV-JMQZZEDYSA-N |
| Mol Weight | 957.1 g/mol |
| Molecular Formula | C48H76O19 |
| Exact Mass | 956.49808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AzDet0KYyNC |
|---|---|
| Name | SANDROSAPONIN-X;3-BETA-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-OLEANOLIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O19 |
| InChI | InChI=1S/C48H76O19/c1-43(2)14-16-48(42(60)61)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(33(56)32(55)35(65-41)38(58)59)67-40-36(31(54)29(52)24(20-50)63-40)66-39-34(57)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-57H,9-20H2,1-7H3,(H,58,59)(H,60,61)/t22?,23-,24-,25?,26?,27+,28-,29+,30+,31+,32+,33+,34-,35+,36-,37-,39+,40+,41-,45+,46-,47-,48+/m1/s1 |
| InChIKey | PPXSTGDJSPLJCV-JMQZZEDYSA-N |
| Literature Reference Author | S.SANCHEZ-CONTRERAS,A.M.DIAZ-LANZA,M.BERNABE |
| Literature Reference Citation | J.NAT.PROD.,63,1479(2000) |
| Literature Reference DOI | 10.1021/np000004h |
| Molecular Weight | 957.120 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU2280 |