| SpectraBase Compound ID | I1HQCMbXUtY |
|---|---|
| InChI | InChI=1S/C48H74O20/c1-18(2)21-13-28(51)48(12-11-45(6)23(30(21)48)14-24-40-46(45,7)10-9-22(19(3)4)47(40,8)27(50)15-29(52)64-24)44(61)68-43-37(59)34(56)32(54)26(66-43)17-62-41-38(60)35(57)39(25(16-49)65-41)67-42-36(58)33(55)31(53)20(5)63-42/h20-28,30-43,49-51,53-60H,1,3,9-17H2,2,4-8H3/t20-,21-,22-,23?,24+,25-,26-,27+,28-,30+,31-,32-,33+,34+,35-,36+,37-,38-,39-,40?,41-,42-,43+,45+,46+,47+,48+/m0/s1 |
| InChIKey | JRAXRVXXMWPYCA-DGXKFZRZSA-N |
| Mol Weight | 971.1 g/mol |
| Molecular Formula | C48H74O20 |
| Exact Mass | 970.477345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ENWQAV4Lua |
|---|---|
| Name | 22-ALPHA-HYDROXYCHIISANOSIDE;1(R),11-ALPHA,22-ALPHA-TRIHYDROXY-3,4-SECO-LUPA-4(23),20(29)-DIENE-3,28-DIOIC-ACID-3,11-ALPHA-LACTONE-28-O-ALPHA-L-RHA |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H74O20 |
| InChI | InChI=1S/C48H74O20/c1-18(2)21-13-28(51)48(12-11-45(6)23(30(21)48)14-24-40-46(45,7)10-9-22(19(3)4)47(40,8)27(50)15-29(52)64-24)44(61)68-43-37(59)34(56)32(54)26(66-43)17-62-41-38(60)35(57)39(25(16-49)65-41)67-42-36(58)33(55)31(53)20(5)63-42/h20-28,30-43,49-51,53-60H,1,3,9-17H2,2,4-8H3/t20-,21-,22-,23?,24+,25-,26-,27+,28-,30+,31-,32-,33+,34+,35-,36+,37-,38-,39-,40?,41-,42-,43+,45+,46+,47+,48+/m0/s1 |
| InChIKey | JRAXRVXXMWPYCA-DGXKFZRZSA-N |
| Literature Reference Author | K.SHIRASUNA,M.MIYAKOSHI,S.MIMOTO,S.ISODA,Y.SATOH,Y.HIRAI,Y.I DA,J.SHOJI |
| Literature Reference Citation | PHYTOCHEM.,45,579(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00017-4 |
| Molecular Weight | 971.104 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSP1471 |