![#20A;2-(9H-FLUOREN-9-YL-METHOXYCARBONYLAMINO)-3-METHYLBUTYRIC-ACID-[3-(3-TERT.-BUTOXYCARBONYLPROPOXY)-5-METHOXYPHENYL]-(2-PHENYL-[1,3]-DITHIAN-2-YL)-METHYLESTE](/api/spectrum/HYEy8hnQkaL/structure.png?h=300&w=458 "#20A;2-(9H-FLUOREN-9-YL-METHOXYCARBONYLAMINO)-3-METHYLBUTYRIC-ACID-[3-(3-TERT.-BUTOXYCARBONYLPROPOXY)-5-METHOXYPHENYL]-(2-PHENYL-[1,3]-DITHIAN-2-YL)-METHYLESTE")
| SpectraBase Compound ID | ErANmfOEJMu |
|---|---|
| InChI | InChI=1S/2C46H53NO8S2/c2*1-30(2)41(47-44(50)53-29-39-37-20-12-10-18-35(37)36-19-11-13-21-38(36)39)43(49)54-42(46(56-24-15-25-57-46)32-16-8-7-9-17-32)31-26-33(51-6)28-34(27-31)52-23-14-22-40(48)55-45(3,4)5/h2*7-13,16-21,26-28,30,39,41-42H,14-15,22-25,29H2,1-6H3,(H,47,50) |
| InChIKey | XFWLNQAFVIDLOC-UHFFFAOYSA-N |
| Mol Weight | 1624.1 g/mol |
| Molecular Formula | C92H106N2O16S4 |
| Exact Mass | 1622.64252 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HYEy8hnQkaL |
|---|---|
| Name | #20A;2-(9H-FLUOREN-9-YL-METHOXYCARBONYLAMINO)-3-METHYLBUTYRIC-ACID-[3-(3-TERT.-BUTOXYCARBONYLPROPOXY)-5-METHOXYPHENYL]-(2-PHENYL-[1,3]-DITHIAN-2-YL)-METHYLESTE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C92H106N2O16S4 |
| InChI | InChI=1S/2C46H53NO8S2/c2*1-30(2)41(47-44(50)53-29-39-37-20-12-10-18-35(37)36-19-11-13-21-38(36)39)43(49)54-42(46(56-24-15-25-57-46)32-16-8-7-9-17-32)31-26-33(51-6)28-34(27-31)52-23-14-22-40(48)55-45(3,4)5/h2*7-13,16-21,26-28,30,39,41-42H,14-15,22-25,29H2,1-6H3,(H,47,50) |
| InChIKey | XFWLNQAFVIDLOC-UHFFFAOYSA-N |
| Literature Reference Author | M.CANO,M.LADLOW,S.BALASUBRAMANIAN |
| Literature Reference Citation | J.ORG.CHEM.,67,129(2002) |
| Literature Reference DOI | 10.1021/jo010703e |
| Molecular Weight | 1624.097 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS24245 |