![(3S,6Z,12S,15S)-12-isobutyl-3-isopropyl-2,11,14-triketo-4-(4-methylphenyl)sulfonyl-1,4,10,13-tetrazabicyclo[13.3.0]octadec-6-ene-9-carboxylic acid methyl ester](/api/spectrum/2j329WMsEKq/structure.png?h=300&w=458 "(3S,6Z,12S,15S)-12-isobutyl-3-isopropyl-2,11,14-triketo-4-(4-methylphenyl)sulfonyl-1,4,10,13-tetrazabicyclo[13.3.0]octadec-6-ene-9-carboxylic acid methyl ester")
| SpectraBase Compound ID | 6H6rSI0hqBt |
|---|---|
| InChI | InChI=1S/C30H44N4O7S/c1-19(2)18-24-27(35)31-23(30(38)41-6)10-7-8-17-34(42(39,40)22-14-12-21(5)13-15-22)26(20(3)4)29(37)33-16-9-11-25(33)28(36)32-24/h7-8,12-15,19-20,23-26H,9-11,16-18H2,1-6H3,(H,31,35)(H,32,36)/b8-7-/t23?,24-,25-,26-/m0/s1 |
| InChIKey | KOPGAOZDEDVSNX-HYUQMTGOSA-N |
| Mol Weight | 604.8 g/mol |
| Molecular Formula | C30H44N4O7S |
| Exact Mass | 604.293071 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2j329WMsEKq |
|---|---|
| Name | (3S,6Z,12S,15S)-12-isobutyl-3-isopropyl-2,11,14-triketo-4-(4-methylphenyl)sulfonyl-1,4,10,13-tetrazabicyclo[13.3.0]octadec-6-ene-9-carboxylic acid methyl ester |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44N4O7S |
| InChI | InChI=1S/C30H44N4O7S/c1-19(2)18-24-27(35)31-23(30(38)41-6)10-7-8-17-34(42(39,40)22-14-12-21(5)13-15-22)26(20(3)4)29(37)33-16-9-11-25(33)28(36)32-24/h7-8,12-15,19-20,23-26H,9-11,16-18H2,1-6H3,(H,31,35)(H,32,36)/b8-7-/t23?,24-,25-,26-/m0/s1 |
| InChIKey | KOPGAOZDEDVSNX-HYUQMTGOSA-N |
| Literature Reference Author | U.KAZMAIER,S.MAIER |
| Literature Reference Citation | ORG.LETTERS,1,1763(1999) |
| Literature Reference DOI | 10.1021/ol9910262 |
| Molecular Weight | 604.762 g/mol |
| Sample ID | 32917 |
| Solvent | CDCl3 |