| SpectraBase Compound ID | G4CZ3ZwNh9g |
|---|---|
| InChI | InChI=1S/C25H32Cl2N2O8S2/c1-12-15(8-7-9-25(6,26)27)35-21(32)13-10-38-18(28-13)16(30)24(4,5)37-22(33)14-11-39-19(29-14)17(23(2,3)34)36-20(12)31/h10-12,15-17,30,34H,7-9H2,1-6H3/t12-,15-,16+,17+/m0/s1 |
| InChIKey | VZEAHVQDYHOSRG-KKBVYLPWSA-N |
| Mol Weight | 623.6 g/mol |
| Molecular Formula | C25H32Cl2N2O8S2 |
| Exact Mass | 622.097714 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DAbj6HRXOBH |
|---|---|
| Name | deacetylhectochlorin |
| Appearance | White amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H32Cl2N2O8S2 |
| InChI | InChI=1S/C25H32Cl2N2O8S2/c1-12-15(8-7-9-25(6,26)27)35-21(32)13-10-38-18(28-13)16(30)24(4,5)37-22(33)14-11-39-19(29-14)17(23(2,3)34)36-20(12)31/h10-12,15-17,30,34H,7-9H2,1-6H3/t12-,15-,16+,17+/m0/s1 |
| InChIKey | VZEAHVQDYHOSRG-KKBVYLPWSA-N |
| Instrument Name | JEOL JMS-700 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0500124 |
| Molecular Weight | 623.563 g/mol |
| Optical Rotation | [a]20D = -22.78 (c = 0.10, MeOH) |
| Reported Formula | C25H32Cl2N2O8S |
| SMILES | OC([C@]1(c2scc(C(OC([C@@](c3scc(C(O[C@]([C@@](C(O1)=O)(C)[H])(CCCC(C)(Cl)Cl)[H])=O)n3)(O)[H])(C)C)=O)n2)[H])(C)C |
| SPLASH | splash10-001a-1811190000-52782edab609c7d2fd7b |
| Source of Spectrum | G4-68-SM9-2 |
| Wiley ID | 1882021 |