![#SI-2;(1R,3S,6R,7R,10S,11S,14S,15R)-3,11-DIHYDROXY-6,10-DIMETHYL-11-[5-(4-PYRIDYL)-1H-[1,2,4]-TRIAZOL-3-YLTHIOMETHYL]-PENTACYCLO-[13.2.2.0(1,6).0(7,15).0(10,14](/api/spectrum/2doRCaY3Inp/structure.png?h=300&w=458 "#SI-2;(1R,3S,6R,7R,10S,11S,14S,15R)-3,11-DIHYDROXY-6,10-DIMETHYL-11-[5-(4-PYRIDYL)-1H-[1,2,4]-TRIAZOL-3-YLTHIOMETHYL]-PENTACYCLO-[13.2.2.0(1,6).0(7,15).0(10,14")
| SpectraBase Compound ID | 54NZgslFfxG |
|---|---|
| InChI | InChI=1S/C35H40N4O3S2/c1-21-4-5-25(44-21)28(41)24-19-33-14-15-35(24)26(31(33,2)11-6-23(40)18-33)7-12-32(3)27(35)8-13-34(32,42)20-43-30-37-29(38-39-30)22-9-16-36-17-10-22/h4-5,9-10,14-17,19,23,26-27,40,42H,6-8,11-13,18,20H2,1-3H3,(H,37,38,39)/t23-,26+,27+,31+,32-,33-,34+,35+/m0/s1 |
| InChIKey | DDDYQIHJMICAGQ-KAKGHUSHSA-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 | 2doRCaY3Inp |
|---|---|
| Name | #SI-2;(1R,3S,6R,7R,10S,11S,14S,15R)-3,11-DIHYDROXY-6,10-DIMETHYL-11-[5-(4-PYRIDYL)-1H-[1,2,4]-TRIAZOL-3-YLTHIOMETHYL]-PENTACYCLO-[13.2.2.0(1,6).0(7,15).0(10,14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H40N4O3S2 |
| InChI | InChI=1S/C35H40N4O3S2/c1-21-4-5-25(44-21)28(41)24-19-33-14-15-35(24)26(31(33,2)11-6-23(40)18-33)7-12-32(3)27(35)8-13-34(32,42)20-43-30-37-29(38-39-30)22-9-16-36-17-10-22/h4-5,9-10,14-17,19,23,26-27,40,42H,6-8,11-13,18,20H2,1-3H3,(H,37,38,39)/t23-,26+,27+,31+,32-,33-,34+,35+/m0/s1 |
| InChIKey | DDDYQIHJMICAGQ-KAKGHUSHSA-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 | 42961 |
| Solvent | CDCl3 |