| SpectraBase Compound ID | ECae0l4eiFr |
|---|---|
| InChI | InChI=1S/C33H48O19/c1-4-13-14(16(28(43)45-3)10-47-30(13)51-32-26(41)24(39)22(37)19(8-34)49-32)5-6-46-29(44)17-11-48-31(21-12(2)18(36)7-15(17)21)52-33-27(42)25(40)23(38)20(9-35)50-33/h4,10-15,18-27,30-42H,1,5-9H2,2-3H3/t12-,13+,14-,15+,18-,19-,20-,21+,22-,23-,24+,25+,26-,27-,30-,31-,32+,33+/m0/s1 |
| InChIKey | HCLPCBQCSACTHM-AIHBFWCOSA-N |
| Mol Weight | 748.7 g/mol |
| Molecular Formula | C33H48O19 |
| Exact Mass | 748.278979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | pY8A4OLPKv |
|---|---|
| Name | SECOLOGANYL-7-LOGANATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H48O19 |
| InChI | InChI=1S/C33H48O19/c1-4-13-14(16(28(43)45-3)10-47-30(13)51-32-26(41)24(39)22(37)19(8-34)49-32)5-6-46-29(44)17-11-48-31(21-12(2)18(36)7-15(17)21)52-33-27(42)25(40)23(38)20(9-35)50-33/h4,10-15,18-27,30-42H,1,5-9H2,2-3H3/t12-,13+,14-,15+,18-,19-,20-,21+,22-,23-,24+,25+,26-,27-,30-,31-,32+,33+/m0/s1 |
| InChIKey | HCLPCBQCSACTHM-AIHBFWCOSA-N |
| Literature Reference Author | A.J.CHULIA,J.VERCAUTEREN,M.KAOUADJI |
| Literature Reference Citation | PHYTOCHEM.,36,377(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)97079-1 |
| Molecular Weight | 748.733 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS25179 |