| SpectraBase Compound ID | CItnKb5J3kP |
|---|---|
| InChI | InChI=1S/C47H74O19/c1-21-29(51)31(53)34(56)39(62-21)65-37-24(18-48)63-38(36(58)33(37)55)61-19-25-30(52)32(54)35(57)40(64-25)66-41(59)47-15-13-42(2,60)17-23(47)22-7-8-27-43(3)11-10-28(50)44(4,20-49)26(43)9-12-46(27,6)45(22,5)14-16-47/h7,20-21,23-40,48,50-58,60H,8-19H2,1-6H3/t21-,23+,24-,25-,26-,27-,28-,29-,30-,31+,32+,33-,34+,35-,36-,37-,38-,39-,40+,42-,43+,44+,45-,46-,47+/m1/s1 |
| InChIKey | GKHRBOAUARGULE-FPCHXTJGSA-N |
| Mol Weight | 943.1 g/mol |
| Molecular Formula | C47H74O19 |
| Exact Mass | 942.48243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6nDFiAwU70C |
|---|---|
| Name | #7;SPINOSIDE-C7;3-ALPHA,20-ALPHA-DIHYDROXY-23-OXO-30-NOR-OLEAN-12-EN-28-O-ALPHA-L-RAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-ESTE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H74O19 |
| InChI | InChI=1S/C47H74O19/c1-21-29(51)31(53)34(56)39(62-21)65-37-24(18-48)63-38(36(58)33(37)55)61-19-25-30(52)32(54)35(57)40(64-25)66-41(59)47-15-13-42(2,60)17-23(47)22-7-8-27-43(3)11-10-28(50)44(4,20-49)26(43)9-12-46(27,6)45(22,5)14-16-47/h7,20-21,23-40,48,50-58,60H,8-19H2,1-6H3/t21-,23+,24-,25-,26-,27-,28-,29-,30-,31+,32+,33-,34+,35-,36-,37-,38-,39-,40+,42-,43+,44+,45-,46-,47+/m1/s1 |
| InChIKey | GKHRBOAUARGULE-FPCHXTJGSA-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 | 943.093 g/mol |
| Sample ID | 52613 |
| Solvent | C5D5N |