| SpectraBase Compound ID | E5KChztBAn5 |
|---|---|
| InChI | InChI=1S/C27H34Cl2N2O9S2/c1-13-17(9-8-10-27(7,28)29)38-23(34)15-11-42-21(30-15)19(37-14(2)32)26(5,6)40-24(35)16-12-41-20(31-16)18(25(3,4)36)39-22(13)33/h11-13,17-19,36H,8-10H2,1-7H3/t13-,17-,18+,19+/m0/s1 |
| InChIKey | USXIYWCPCGVOKF-NOENWEJRSA-N |
| Mol Weight | 665.6 g/mol |
| Molecular Formula | C27H34Cl2N2O9S2 |
| Exact Mass | 664.108278 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3hYzNXCgCMv |
|---|---|
| Name | HECTOCHLORIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H34Cl2N2O9S2 |
| InChI | InChI=1S/C27H34Cl2N2O9S2/c1-13-17(9-8-10-27(7,28)29)38-23(34)15-11-42-21(30-15)19(37-14(2)32)26(5,6)40-24(35)16-12-41-20(31-16)18(25(3,4)36)39-22(13)33/h11-13,17-19,36H,8-10H2,1-7H3/t13-,17-,18+,19+/m0/s1 |
| InChIKey | USXIYWCPCGVOKF-NOENWEJRSA-N |
| Literature Reference Author | S.SUNTORNCHASHWEJ,N.CHAICHIT,M.ISOBE,K.SUWANBORIRUX |
| Literature Reference Citation | J.NAT.PROD.,68,951(2005) |
| Literature Reference DOI | 10.1021/np0500124 |
| Molecular Weight | 665.601 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ10476 |