![17-O-[N-(2-CHLOROETHYL)-CARBAMOYL]-LATRUNCULIN_A](/api/spectrum/ClEP7BEHIJp/structure.png?h=300&w=458 "17-O-[N-(2-CHLOROETHYL)-CARBAMOYL]-LATRUNCULIN_A")
| SpectraBase Compound ID | CiKMgzjie6J |
|---|---|
| InChI | InChI=1S/C25H35ClN2O6S/c1-17-7-5-3-4-6-8-18(2)13-22(29)32-20-14-19(10-9-17)33-25(15-20,21-16-35-24(31)28-21)34-23(30)27-12-11-26/h3-5,7,13,17,19-21H,6,8-12,14-16H2,1-2H3,(H,27,30)(H,28,31)/b4-3+,7-5-,18-13-/t17-,19-,20-,21-,25+/m0/s1 |
| InChIKey | CHHHDCFJTWVFPK-IQXZBLLRSA-N |
| Mol Weight | 527.1 g/mol |
| Molecular Formula | C25H35ClN2O6S |
| Exact Mass | 526.190436 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ClEP7BEHIJp |
|---|---|
| Name | 17-O-[N-(2-CHLOROETHYL)-CARBAMOYL]-LATRUNCULIN_A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H35ClN2O6S |
| InChI | InChI=1S/C25H35ClN2O6S/c1-17-7-5-3-4-6-8-18(2)13-22(29)32-20-14-19(10-9-17)33-25(15-20,21-16-35-24(31)28-21)34-23(30)27-12-11-26/h3-5,7,13,17,19-21H,6,8-12,14-16H2,1-2H3,(H,27,30)(H,28,31)/b4-3+,7-5-,18-13-/t17-,19-,20-,21-,25+/m0/s1 |
| InChIKey | CHHHDCFJTWVFPK-IQXZBLLRSA-N |
| Literature Reference Author | K.A.ELSAYED,M.A.KHANFAR,H.M.SHALLAL,A.MURALIDHARAN,B.AWATE,D .T.A.YOUSSEF,Y.LIU,Y |
| Literature Reference Citation | J.NAT.PROD.,71,396(2008) |
| Literature Reference DOI | 10.1021/np070587w |
| Molecular Weight | 527.076 g/mol |
| Sample ID | 27401 |
| Solvent | CDCl3 |