![#38A;METHYL-(ALPHA-R,2S,9S)-2,3,9,9A-TETRAHYDRO-9-HYDROXY-9A-METHOXY-2-METHYL-3-OXO-1-[(PHENYLMETHOXY)-CARBONYL]-ALPHA-[[(2,2,2-TRICHLOROETHOXY)-CARBONYL]-AMIN](/api/spectrum/8wOrNS0wQTW/structure.png?h=300&w=458 "#38A;METHYL-(ALPHA-R,2S,9S)-2,3,9,9A-TETRAHYDRO-9-HYDROXY-9A-METHOXY-2-METHYL-3-OXO-1-[(PHENYLMETHOXY)-CARBONYL]-ALPHA-[[(2,2,2-TRICHLOROETHOXY)-CARBONYL]-AMIN")
| SpectraBase Compound ID | EkUKGCvWN07 |
|---|---|
| InChI | InChI=1S/C27H28Cl3N3O9/c1-16-21(34)33-20-12-8-7-11-18(20)25(38,13-19(22(35)39-2)31-23(36)42-15-26(28,29)30)27(33,40-3)32(16)24(37)41-14-17-9-5-4-6-10-17/h4-12,16,19,38H,13-15H2,1-3H3,(H,31,36)/t16-,19+,25-,27?/m0/s1 |
| InChIKey | XJVGGFUWPQXRQC-VJCRDDOISA-N |
| Mol Weight | 644.89 g/mol |
| Molecular Formula | C27H28Cl3N3O9 |
| Exact Mass | 643.089113 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8wOrNS0wQTW |
|---|---|
| Name | #38A;METHYL-(ALPHA-R,2S,9S)-2,3,9,9A-TETRAHYDRO-9-HYDROXY-9A-METHOXY-2-METHYL-3-OXO-1-[(PHENYLMETHOXY)-CARBONYL]-ALPHA-[[(2,2,2-TRICHLOROETHOXY)-CARBONYL]-AMIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H28Cl3N3O9 |
| InChI | InChI=1S/C27H28Cl3N3O9/c1-16-21(34)33-20-12-8-7-11-18(20)25(38,13-19(22(35)39-2)31-23(36)42-15-26(28,29)30)27(33,40-3)32(16)24(37)41-14-17-9-5-4-6-10-17/h4-12,16,19,38H,13-15H2,1-3H3,(H,31,36)/t16-,19+,25-,27?/m0/s1 |
| InChIKey | XJVGGFUWPQXRQC-VJCRDDOISA-N |
| Literature Reference Author | B.B.SNIDER,H.ZENG |
| Literature Reference Citation | J.ORG.CHEM.,68,545(2003) |
| Literature Reference DOI | 10.1021/jo0264980 |
| Molecular Weight | 644.893 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN25405 |