| SpectraBase Compound ID | IQ2J3MPVv0A |
|---|---|
| InChI | InChI=1S/C24H31Cl2N5O8/c1-11(34)19-22(37)29-15(9-32)21(36)28-14(12-5-3-2-4-6-12)7-17(35)27-16(10-33)24(39)31-8-13(25)18(26)20(31)23(38)30-19/h2-6,11,13-16,18-20,32-34H,7-10H2,1H3,(H,27,35)(H,28,36)(H,29,37)(H,30,38)/t11?,13-,14-,15+,16+,18-,19+,20+/m1/s1 |
| InChIKey | SQOPWHUHNWXLMA-XUZPTRNKSA-N |
| Mol Weight | 588.45 g/mol |
| Molecular Formula | C24H31Cl2N5O8 |
| Exact Mass | 587.154968 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2VoRxZ4Sobj |
|---|---|
| Name | HYDROXYCYCLOCHLOROTINE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H31Cl2N5O8 |
| InChI | InChI=1S/C24H31Cl2N5O8/c1-11(34)19-22(37)29-15(9-32)21(36)28-14(12-5-3-2-4-6-12)7-17(35)27-16(10-33)24(39)31-8-13(25)18(26)20(31)23(38)30-19/h2-6,11,13-16,18-20,32-34H,7-10H2,1H3,(H,27,35)(H,28,36)(H,29,37)(H,30,38)/t11?,13-,14-,15+,16+,18-,19+,20+/m1/s1 |
| InChIKey | SQOPWHUHNWXLMA-XUZPTRNKSA-N |
| Literature Reference Author | K.MIZUTANI,Y.HIRASAWA,Y.SUGITA-KONISHI,N.MOCHIZUKI,H.MORITA |
| Literature Reference Citation | J.NAT.PROD.,71,1297(2008) |
| Literature Reference DOI | 10.1021/np800150m |
| Molecular Weight | 588.445 g/mol |
| Sample ID | 28761 |
| Solvent | DMSO-D6 |