| SpectraBase Compound ID | 5xGDhFg3ypB |
|---|---|
| InChI | InChI=1S/C48H78O18/c1-22-30(52)32(54)35(57)40(62-22)65-38-25(19-49)63-39(37(59)34(38)56)61-20-26-31(53)33(55)36(58)41(64-26)66-42(60)48-16-14-44(4,21-50)18-24(48)23-8-9-28-45(5)12-11-29(51)43(2,3)27(45)10-13-47(28,7)46(23,6)15-17-48/h8,22,24-41,49-59H,9-21H2,1-7H3/t22-,24+,25-,26-,27+,28-,29-,30-,31-,32+,33+,34-,35+,36-,37-,38-,39-,40-,41+,44-,45+,46-,47-,48+/m1/s1 |
| InChIKey | QMIBWALTTZKWNN-RYPPPQEDSA-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 | ICIRCXXXW6Y |
|---|---|
| Name | SPINOSIDE-C1;3-ALPHA,29-DIHYDROXY-12-EN-OLEAN-28-O-ALPHA-L-RAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-ACIDESTER |
| 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/c1-22-30(52)32(54)35(57)40(62-22)65-38-25(19-49)63-39(37(59)34(38)56)61-20-26-31(53)33(55)36(58)41(64-26)66-42(60)48-16-14-44(4,21-50)18-24(48)23-8-9-28-45(5)12-11-29(51)43(2,3)27(45)10-13-47(28,7)46(23,6)15-17-48/h8,22,24-41,49-59H,9-21H2,1-7H3/t22-,24+,25-,26-,27+,28-,29-,30-,31-,32+,33+,34-,35+,36-,37-,38-,39-,40-,41+,44-,45+,46-,47-,48+/m1/s1 |
| InChIKey | QMIBWALTTZKWNN-RYPPPQEDSA-N |
| Literature Reference Author | M.MIYAKOSHI,S.ISODA,H.SATO,Y.HIRAI,J.SHOJI,Y.IDA |
| Literature Reference Citation | PHYTOCHEM.,46,1255(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)80022-2 |
| Molecular Weight | 943.137 g/mol |
| Sample ID | 52607 |
| Solvent | C5D5N |