| SpectraBase Compound ID | 9RR3YQbm3Y5 |
|---|---|
| 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-ZIVNFORMSA-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 | 5FNkRP0Dkka |
|---|---|
| Name | INDACONITINE |
| Compound Number | 9 |
| 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-ZIVNFORMSA-N |
| Literature Reference | K.S.KHETWAL,H.K.DESAI,B.S.JOSHI,S.W.PELLETIER HETEROCYCLES,38,833(1994) |
| Solvent | Chloroform-d |
| Technique | APT, DEPT, INEPT; C/H SHIFT CORRELATION |