| SpectraBase Compound ID | 5eVDZZBJC0z |
|---|---|
| InChI | InChI=1S/C48H76O19/c1-22-30(53)32(55)35(58)40(63-22)66-38-25(18-49)64-39(37(60)34(38)57)62-19-26-31(54)33(56)36(59)41(65-26)67-42(61)48-15-13-43(2,20-50)17-24(48)23-7-8-28-44(3)11-10-29(52)45(4,21-51)27(44)9-12-47(28,6)46(23,5)14-16-48/h7,21-22,24-41,49-50,52-60H,8-20H2,1-6H3/t22-,24+,25-,26-,27-,28-,29-,30-,31-,32+,33+,34-,35+,36-,37-,38-,39-,40-,41+,43-,44+,45+,46-,47-,48+/m1/s1 |
| InChIKey | IFYHLPBBPBCPBM-JOYNPDKXSA-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 | BEMHpf31ZxD |
|---|---|
| Name | SPINOSIDE-C4;3-ALPHA,29-DIHYDROXY-23-OXO-OLEAN-12-EN-28-O-ALPHA-L-RAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O19 |
| InChI | InChI=1S/C48H76O19/c1-22-30(53)32(55)35(58)40(63-22)66-38-25(18-49)64-39(37(60)34(38)57)62-19-26-31(54)33(56)36(59)41(65-26)67-42(61)48-15-13-43(2,20-50)17-24(48)23-7-8-28-44(3)11-10-29(52)45(4,21-51)27(44)9-12-47(28,6)46(23,5)14-16-48/h7,21-22,24-41,49-50,52-60H,8-20H2,1-6H3/t22-,24+,25-,26-,27-,28-,29-,30-,31-,32+,33+,34-,35+,36-,37-,38-,39-,40-,41+,43-,44+,45+,46-,47-,48+/m1/s1 |
| InChIKey | IFYHLPBBPBCPBM-JOYNPDKXSA-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 | 957.120 g/mol |
| Sample ID | 52611 |
| Solvent | C5D5N |