| SpectraBase Compound ID | JvhlURAoXyb |
|---|---|
| InChI | InChI=1S/C39H50N8O5S3/c1-7-22(6)31-38-43-27(19-55-38)33(49)45-30(21(4)5)39(52)47-15-11-14-28(47)35(51)44-29(20(2)3)37-42-25(18-54-37)32(48)40-24(16-23-12-9-8-10-13-23)36-41-26(17-53-36)34(50)46-31/h8-10,12-13,18-22,24,26,28-31H,7,11,14-17H2,1-6H3,(H,40,48)(H,44,51)(H,45,49)(H,46,50)/t22?,24-,26+,28-,29+,30+,31-/m0/s1 |
| InChIKey | RGYATJKXBBMJQJ-NIDPSKRFSA-N |
| Mol Weight | 807.1 g/mol |
| Molecular Formula | C39H50N8O5S3 |
| Exact Mass | 806.30663 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J9C8gxN9vql |
|---|---|
| Name | TAWICYCLAMIDE-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H50N8O5S3 |
| InChI | InChI=1S/C39H50N8O5S3/c1-7-22(6)31-38-43-27(19-55-38)33(49)45-30(21(4)5)39(52)47-15-11-14-28(47)35(51)44-29(20(2)3)37-42-25(18-54-37)32(48)40-24(16-23-12-9-8-10-13-23)36-41-26(17-53-36)34(50)46-31/h8-10,12-13,18-22,24,26,28-31H,7,11,14-17H2,1-6H3,(H,40,48)(H,44,51)(H,45,49)(H,46,50)/t22?,24-,26+,28-,29+,30+,31-/m0/s1 |
| InChIKey | RGYATJKXBBMJQJ-NIDPSKRFSA-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 | 807.057 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWCS2270 |