| SpectraBase Compound ID | HK6IxmG6Qwn |
|---|---|
| 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)/t16-,17-,20-,23-/m1/s1 |
| InChIKey | ATCVYMAKQRUVDS-FOWVLEKCSA-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 | F7zM2KSFtfP |
|---|---|
| Name | DOLASTATIN-3 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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)/t16-,17-,20-,23-/m1/s1 |
| InChIKey | ATCVYMAKQRUVDS-FOWVLEKCSA-N |
| Literature Reference Author | S.S.MITCHELL,D.J.FAULKNER,K.RUBINS,F.D.BUSHMAN |
| Literature Reference Citation | J.NAT.PROD.,63,279(2000) |
| Literature Reference DOI | 10.1021/np990353f |
| Molecular Weight | 660.807 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGE3001 |