| SpectraBase Compound ID | 9iyaxABRbdx |
|---|---|
| InChI | InChI=1S/C24H31Cl2N5O7/c1-2-14-21(35)30-16(10-32)22(36)29-15(12-6-4-3-5-7-12)8-18(34)27-17(11-33)24(38)31-9-13(25)19(26)20(31)23(37)28-14/h3-7,13-17,19-20,32-33H,2,8-11H2,1H3,(H,27,34)(H,28,37)(H,29,36)(H,30,35)/t13-,14+,15-,16+,17+,19-,20+/m1/s1 |
| InChIKey | PMBVHCCVEPYDSN-BADCMNFISA-N |
| Mol Weight | 572.45 g/mol |
| Molecular Formula | C24H31Cl2N5O7 |
| Exact Mass | 571.160054 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 42zQV0uOGHw |
|---|---|
| Name | CYCLOCHLOROTINE;MAJOR_CONFORMER_A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H31Cl2N5O7 |
| InChI | InChI=1S/C24H31Cl2N5O7/c1-2-14-21(35)30-16(10-32)22(36)29-15(12-6-4-3-5-7-12)8-18(34)27-17(11-33)24(38)31-9-13(25)19(26)20(31)23(37)28-14/h3-7,13-17,19-20,32-33H,2,8-11H2,1H3,(H,27,34)(H,28,37)(H,29,36)(H,30,35)/t13-,14+,15-,16+,17+,19-,20+/m1/s1 |
| InChIKey | PMBVHCCVEPYDSN-BADCMNFISA-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 | 572.445 g/mol |
| Sample ID | 28762 |
| Solvent | DMSO-D6 |