| SpectraBase Compound ID | 4bdg4eInpjP |
|---|---|
| InChI | InChI=1S/C30H46O16S2.2K/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17;;/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/t16-,17-,18-,19-,20-,21+,23-,24+,25-,26+,28-,29-,30-;;/m1../s1 |
| InChIKey | IUCNQFHEWLYECJ-FNAJZLPOSA-L |
| Mol Weight | 802.9826 g/mol |
| Molecular Formula | C30H44K2O16S2 |
| Exact Mass | 802.134491 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2fxyxiskrot |
|---|---|
| Name | ATRACTYLOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44K2O16S2 |
| InChI | InChI=1S/C30H46O16S2.2K/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17;;/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/t16-,17-,18-,19-,20-,21+,23-,24+,25-,26+,28-,29-,30-;;/m1../s1 |
| InChIKey | IUCNQFHEWLYECJ-FNAJZLPOSA-L |
| Literature Reference Author | F.BRUCOLI,M.T.BORRELLO,P.STAPLETON,G.N.PARKINSON,S.GIBBONS |
| Literature Reference Citation | J.NAT.PROD.,75,1070(2012) |
| Literature Reference DOI | 10.1021/np300080w |
| Molecular Weight | 802.986 g/mol |
| Sample ID | 41085 |
| Solvent | DMSO-D6 |