| SpectraBase Compound ID | 4Rl6Nf3IRWC |
|---|---|
| InChI | InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)21(37)13-22(41-4)34-20-14-32(39)23(42-5)15-33(45-18(2)36,25(28(34)35)26(43-6)27(31)34)24(20)29(32)44-30(38)19-11-9-8-10-12-19/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20?,21?,22?,23-,24?,25-,26?,27+,28+,29?,31-,32+,33-,34-/m1/s1 |
| InChIKey | PHDZNMWTZQPAEW-RNPPZIOCSA-N |
| Mol Weight | 629.7 g/mol |
| Molecular Formula | C34H47NO10 |
| Exact Mass | 629.319997 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ihl6bjfUe2y |
|---|---|
| Name | INDACONITINE |
| Compound Number | 2 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)21(37)13-22(41-4)34-20-14-32(39)23(42-5)15-33(45-18(2)36,25(28(34)35)26(43-6)27(31)34)24(20)29(32)44-30(38)19-11-9-8-10-12-19/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20?,21?,22?,23-,24?,25-,26?,27+,28+,29?,31-,32+,33-,34-/m1/s1 |
| InChIKey | PHDZNMWTZQPAEW-RNPPZIOCSA-N |
| Literature Reference | S.W.PELLETIER,N.V.MODY,R.S.SAWHNEY,J.BHATTACHARYYA HETEROCYCLES,7,327(1977) |
| Solvent | Chloroform-d |