![#SI-8;(2S,5S,6S,13S,9E)-5,13-DIHYDROXY-6,10-DIMETHYL-5-[5-(4-PYRIDYL)-1H-[1,2,4]-TRIAZOL-3-YLTHIOMETHYL]-TRICYCLO-[13.2.2.0(2,6)]-NONADECA-1(17),9,15,18-TETRAE](/api/spectrum/HgiCqOyKqup/structure.png?h=300&w=458 "#SI-8;(2S,5S,6S,13S,9E)-5,13-DIHYDROXY-6,10-DIMETHYL-5-[5-(4-PYRIDYL)-1H-[1,2,4]-TRIAZOL-3-YLTHIOMETHYL]-TRICYCLO-[13.2.2.0(2,6)]-NONADECA-1(17),9,15,18-TETRAE")
| SpectraBase Compound ID | B14EfXqjYZf |
|---|---|
| InChI | InChI=1S/C35H40N4O3S2/c1-22-5-4-15-34(3)29(12-16-35(34,42)21-43-33-37-32(38-39-33)25-13-17-36-18-14-25)27-10-8-24(19-26(40)9-6-22)20-28(27)31(41)30-11-7-23(2)44-30/h5,7-8,10-11,13-14,17-18,20,26,29,40,42H,4,6,9,12,15-16,19,21H2,1-3H3,(H,37,38,39)/b22-5+/t26-,29-,34-,35+/m0/s1 |
| InChIKey | NFECLJVQIYAZRY-QYZDOUBVSA-N |
| Mol Weight | 628.9 g/mol |
| Molecular Formula | C35H40N4O3S2 |
| Exact Mass | 628.254184 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HgiCqOyKqup |
|---|---|
| Name | #SI-8;(2S,5S,6S,13S,9E)-5,13-DIHYDROXY-6,10-DIMETHYL-5-[5-(4-PYRIDYL)-1H-[1,2,4]-TRIAZOL-3-YLTHIOMETHYL]-TRICYCLO-[13.2.2.0(2,6)]-NONADECA-1(17),9,15,18-TETRAE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H40N4O3S2 |
| InChI | InChI=1S/C35H40N4O3S2/c1-22-5-4-15-34(3)29(12-16-35(34,42)21-43-33-37-32(38-39-33)25-13-17-36-18-14-25)27-10-8-24(19-26(40)9-6-22)20-28(27)31(41)30-11-7-23(2)44-30/h5,7-8,10-11,13-14,17-18,20,26,29,40,42H,4,6,9,12,15-16,19,21H2,1-3H3,(H,37,38,39)/b22-5+/t26-,29-,34-,35+/m0/s1 |
| InChIKey | NFECLJVQIYAZRY-QYZDOUBVSA-N |
| Literature Reference Author | N.KUMAR,M.KIUCHI,J.A.TALLARICO,S.L.SCHREIBER |
| Literature Reference Citation | ORG.LETTERS,7,2535(2005) |
| Literature Reference DOI | 10.1021/ol0504345 |
| Molecular Weight | 628.848 g/mol |
| Sample ID | 42967 |
| Solvent | DMSO-D6 |