| SpectraBase Compound ID | AHEdpF0UyC7 |
|---|---|
| InChI | InChI=1S/C47H76O18/c1-21-29(50)31(52)34(55)39(61-21)64-37-24(19-48)62-38(36(57)33(37)54)60-20-25-30(51)32(53)35(56)40(63-25)65-41(58)47-16-14-43(4,59)18-23(47)22-8-9-27-44(5)12-11-28(49)42(2,3)26(44)10-13-46(27,7)45(22,6)15-17-47/h8,21,23-40,48-57,59H,9-20H2,1-7H3/t21-,23+,24-,25-,26+,27-,28-,29-,30-,31+,32+,33-,34+,35-,36-,37-,38-,39-,40+,43-,44+,45-,46-,47+/m1/s1 |
| InChIKey | RBJPMVQLSUUBKB-OYLOVYLWSA-N |
| Mol Weight | 929.1 g/mol |
| Molecular Formula | C47H76O18 |
| Exact Mass | 928.503166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AvcrjgVjW1E |
|---|---|
| Name | #3;SPINOSIDE-C3;3-ALPHA,20-ALPHA-DIHYDROXY-30-NOR-OLEAN-12-EN-28-O-ALPHA-L-RAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-ACIDESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O18 |
| InChI | InChI=1S/C47H76O18/c1-21-29(50)31(52)34(55)39(61-21)64-37-24(19-48)62-38(36(57)33(37)54)60-20-25-30(51)32(53)35(56)40(63-25)65-41(58)47-16-14-43(4,59)18-23(47)22-8-9-27-44(5)12-11-28(49)42(2,3)26(44)10-13-46(27,7)45(22,6)15-17-47/h8,21,23-40,48-57,59H,9-20H2,1-7H3/t21-,23+,24-,25-,26+,27-,28-,29-,30-,31+,32+,33-,34+,35-,36-,37-,38-,39-,40+,43-,44+,45-,46-,47+/m1/s1 |
| InChIKey | RBJPMVQLSUUBKB-OYLOVYLWSA-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 | 929.110 g/mol |
| Sample ID | 52609 |
| Solvent | C5D5N |