| SpectraBase Compound ID | FDBuAlrSHRA |
|---|---|
| InChI | InChI=1S/C34H61N3O12S/c1-8-9-10-11-12-13-14-15-16-17-18-19-27(39)22(4)30-23(5)31(40)36-28(21(2)3)32(41)37-29(24(6)49-50(44,45)46)33(42)35-26(34(43)48-30)20-47-25(7)38/h21-24,26-30,39H,8-20H2,1-7H3,(H,35,42)(H,36,40)(H,37,41)(H,44,45,46) |
| InChIKey | CJLJASOVVWRIFV-UHFFFAOYSA-N |
| Mol Weight | 735.9 g/mol |
| Molecular Formula | C34H61N3O12S |
| Exact Mass | 735.397596 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E3texHjOdZ6 |
|---|---|
| Name | STEVASTELIN-A-3 |
| CAS Registry Number | 182125-46-8 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H61N3O12S |
| InChI | InChI=1S/C34H61N3O12S/c1-8-9-10-11-12-13-14-15-16-17-18-19-27(39)22(4)30-23(5)31(40)36-28(21(2)3)32(41)37-29(24(6)49-50(44,45)46)33(42)35-26(34(43)48-30)20-47-25(7)38/h21-24,26-30,39H,8-20H2,1-7H3,(H,35,42)(H,36,40)(H,37,41)(H,44,45,46) |
| InChIKey | CJLJASOVVWRIFV-UHFFFAOYSA-N |
| Literature Reference Author | T.MORINO,K.I.SHIMADA,A.MASUDA,M.NISHIMOTO,S.SAITO |
| Literature Reference Citation | J.ANTIBIOTICS,49,1049(1996) |
| Literature Reference DOI | 10.7164/antibiotics.49.1049 |
| Molecular Weight | 735.931 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMP14 |