| SpectraBase Compound ID | 2m2BGoWti5z |
|---|---|
| InChI | InChI=1S/C36H50N8O5S3/c1-9-20(8)28-35-40-24(16-52-35)30(46)42-27(19(6)7)36(49)44-12-10-11-25(44)32(48)41-26(18(4)5)34-39-22(15-51-34)29(45)37-21(13-17(2)3)33-38-23(14-50-33)31(47)43-28/h14-21,25-28H,9-13H2,1-8H3,(H,37,45)(H,41,48)(H,42,46)(H,43,47)/t20?,21-,25+,26-,27-,28+/m1/s1 |
| InChIKey | XYLQSGVXTQMBMN-GBHFFIEGSA-N |
| Mol Weight | 771.0 g/mol |
| Molecular Formula | C36H50N8O5S3 |
| Exact Mass | 770.30663 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IqQqBeFZc0T |
|---|---|
| Name | DEHYDROTAWICYCLAMIDE-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H50N8O5S3 |
| InChI | InChI=1S/C36H50N8O5S3/c1-9-20(8)28-35-40-24(16-52-35)30(46)42-27(19(6)7)36(49)44-12-10-11-25(44)32(48)41-26(18(4)5)34-39-22(15-51-34)29(45)37-21(13-17(2)3)33-38-23(14-50-33)31(47)43-28/h14-21,25-28H,9-13H2,1-8H3,(H,37,45)(H,41,48)(H,42,46)(H,43,47)/t20?,21-,25+,26-,27-,28+/m1/s1 |
| InChIKey | XYLQSGVXTQMBMN-GBHFFIEGSA-N |
| Literature Reference Author | L.A.MCDONALD,M.P.FOSTER,D.R.PHILLIPS,C.M.IRELAND,A.Y.LEE,J.C LARDY |
| Literature Reference Citation | J.ORG.CHEM.,57,4616(1992) |
| Literature Reference DOI | 10.1021/jo00043a017 |
| Molecular Weight | 771.024 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWCS2272 |