| SpectraBase Compound ID | 7dP0dMZSvYa |
|---|---|
| InChI | InChI=1S/C39H67NO7SSi2/c1-13-14-18-23-31(46-49(9,10)37(2,3)4)27-28-33-34(47-50(11,12)38(5,6)7)30-35(40-42)39(33,29-22-16-15-21-26-36(41)45-8)48(43,44)32-24-19-17-20-25-32/h16-17,19-20,22,24-25,27-28,31,33-34,42H,13-15,18,21,23,26,29-30H2,1-12H3/b22-16-,28-27+,40-35+/t31-,33+,34-,39-/m0/s1 |
| InChIKey | BMUYTHYTKNQGNW-LGGANIPLSA-N |
| Mol Weight | 750.2 g/mol |
| Molecular Formula | C39H67NO7SSi2 |
| Exact Mass | 749.417678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BCfch0uQt3G |
|---|---|
| Name | METHYL-(5Z,13E,8R,11R,12S,15S)-11,15-BIS-(TERT.-BUTYLDIMETHYLSILOXY)-9-(ANTI-OXIMINO)-8-(PHENYLSULFONYL)-5,13-PROSTADIENOATE |
| CAS Registry Number | 85453-58-3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H66NO7SSi2 |
| InChI | InChI=1S/C39H67NO7SSi2/c1-13-14-18-23-31(46-49(9,10)37(2,3)4)27-28-33-34(47-50(11,12)38(5,6)7)30-35(40-42)39(33,29-22-16-15-21-26-36(41)45-8)48(43,44)32-24-19-17-20-25-32/h16-17,19-20,22,24-25,27-28,31,33-34,42H,13-15,18,21,23,26,29-30H2,1-12H3/b22-16-,28-27+,40-35+/t31-,33+,34-,39-/m0/s1 |
| InChIKey | BMUYTHYTKNQGNW-LGGANIPLSA-N |
| Literature Reference Author | R.E.DONALDSON,J.C.SADDLER,S.BYRN,A.T.MCKENZIE,P.L.FUCHS |
| Literature Reference Citation | J.ORG.CHEM.,48,2167(1983) |
| Literature Reference DOI | 10.1021/jo00161a010 |
| Molecular Weight | 749.187 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW22470 |