| SpectraBase Compound ID | 9ubmgM3Uw3J |
|---|---|
| InChI | InChI=1S/C40H69NO7SSi2/c1-14-15-19-24-32(47-50(10,11)38(2,3)4)28-29-34-35(48-51(12,13)39(5,6)7)31-36(41(8)43)40(34,30-23-17-16-22-27-37(42)46-9)49(44,45)33-25-20-18-21-26-33/h17-18,20-21,23,25-26,28-29,32,34-35H,14-16,19,22,24,27,30-31H2,1-13H3/b23-17-,29-28+,41-36-/t32-,34-,35+,40+/m0/s1 |
| InChIKey | VLVBDRNURFEBGL-WGGGYHCHSA-N |
| Mol Weight | 764.2 g/mol |
| Molecular Formula | C40H69NO7SSi2 |
| Exact Mass | 763.433328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H63aiH4vvui |
|---|---|
| Name | METHYL-(5Z,13E,8R,11R,12S,15S)-11,15-BIS-(TERT.-BUTYLDIMETHYLSILOXY)-9-(E-METHYLNITRONO)-8-(PHENYLSULFONYL)-5,13-PROSTADIENOATE |
| CAS Registry Number | 85453-59-4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H69NO7SSi2 |
| InChI | InChI=1S/C40H69NO7SSi2/c1-14-15-19-24-32(47-50(10,11)38(2,3)4)28-29-34-35(48-51(12,13)39(5,6)7)31-36(41(8)43)40(34,30-23-17-16-22-27-37(42)46-9)49(44,45)33-25-20-18-21-26-33/h17-18,20-21,23,25-26,28-29,32,34-35H,14-16,19,22,24,27,30-31H2,1-13H3/b23-17-,29-28+,41-36-/t32-,34-,35+,40+/m0/s1 |
| InChIKey | VLVBDRNURFEBGL-WGGGYHCHSA-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 | 764.221 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW22471 |