| SpectraBase Compound ID | FshE4JtY5RD |
|---|---|
| InChI | InChI=1S/C29H40N8O6S2/c1-14(2)10-17-25(40)33-16(7-8-21(30)38)28-35-18(13-45-28)24(39)31-11-22-32-19(12-44-22)26(41)36-23(15(3)4)29(43)37-9-5-6-20(37)27(42)34-17/h12-17,20,23H,5-11H2,1-4H3,(H2,30,38)(H,31,39)(H,33,40)(H,34,42)(H,36,41) |
| InChIKey | ATCVYMAKQRUVDS-UHFFFAOYSA-N |
| Mol Weight | 660.8 g/mol |
| Molecular Formula | C29H40N8O6S2 |
| Exact Mass | 660.251223 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8WBKKToPNtv |
|---|---|
| Name | Dolastin 3 |
| Comments | ASSIGNEMENT BY 2D-EXPERIMENTS |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C29H40N8O6S2 |
| InChI | InChI=1S/C29H40N8O6S2/c1-14(2)10-17-25(40)33-16(7-8-21(30)38)28-35-18(13-45-28)24(39)31-11-22-32-19(12-44-22)26(41)36-23(15(3)4)29(43)37-9-5-6-20(37)27(42)34-17/h12-17,20,23H,5-11H2,1-4H3,(H2,30,38)(H,31,39)(H,33,40)(H,34,42)(H,36,41) |
| InChIKey | ATCVYMAKQRUVDS-UHFFFAOYSA-N |
| Instrument Name | Bruker WH-500 |
| Literature Reference | G.R. Petit, Y. Kamano, C.W. Holzapfel, J. Am. Chem. Soc. 109, 7581 (1987). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |