| SpectraBase Compound ID | 3L1rWRnjKtJ |
|---|---|
| InChI | InChI=1S/C33H44O18/c1-4-13-15-6-7-43-29(41)17(15)10-45-30(13)50-33-26(39)24(37)27-20(48-33)12-44-21(49-27)8-16-14(5-2)31(46-11-18(16)28(40)42-3)51-32-25(38)23(36)22(35)19(9-34)47-32/h4-5,10-11,13-16,19-27,30-39H,1-2,6-9,12H2,3H3/t13-,14+,15+,16-,19-,20+,21+,22-,23+,24+,25-,26+,27+,30+,31-,32+,33-/m1/s1 |
| InChIKey | HADYJKOVEHJYKM-FLYQNBGDSA-N |
| Mol Weight | 728.7 g/mol |
| Molecular Formula | C33H44O18 |
| Exact Mass | 728.252765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JqAYK2LTv8S |
|---|---|
| Name | CAERULEOSIDE_B |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H44O18 |
| InChI | InChI=1S/C33H44O18/c1-4-13-15-6-7-43-29(41)17(15)10-45-30(13)50-33-26(39)24(37)27-20(48-33)12-44-21(49-27)8-16-14(5-2)31(46-11-18(16)28(40)42-3)51-32-25(38)23(36)22(35)19(9-34)47-32/h4-5,10-11,13-16,19-27,30-39H,1-2,6-9,12H2,3H3/t13-,14+,15+,16-,19-,20+,21+,22-,23+,24+,25-,26+,27+,30+,31-,32+,33-/m1/s1 |
| InChIKey | HADYJKOVEHJYKM-FLYQNBGDSA-N |
| Literature Reference Author | K.MACHIDA,J.ASANO,M.KIKUCHI |
| Literature Reference Citation | PHYTOCHEM.,39,111(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00853-L |
| Molecular Weight | 728.702 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ8327 |