| SpectraBase Compound ID | H8Xhy7yD9C2 |
|---|---|
| InChI | InChI=1S/C28H34N4O8/c1-14(13-33)7-21(28(38)39)31-26(36)22-9-15-10-23(34)25(40-2)24(35)18(15)12-32(22)27(37)19(29)8-16-11-30-20-6-4-3-5-17(16)20/h3-6,10-11,14,19,21-22,30,33-35H,7-9,12-13,29H2,1-2H3,(H,31,36)(H,38,39)/t14?,19-,21+,22+/m1/s1 |
| InChIKey | WVYIXBYYAHYOIW-UBTPQBRHSA-N |
| Mol Weight | 554.6 g/mol |
| Molecular Formula | C28H34N4O8 |
| Exact Mass | 554.237664 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 79ow2mwYyB8 |
|---|---|
| Name | TMC-2C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H34N4O8 |
| InChI | InChI=1S/C28H34N4O8/c1-14(13-33)7-21(28(38)39)31-26(36)22-9-15-10-23(34)25(40-2)24(35)18(15)12-32(22)27(37)19(29)8-16-11-30-20-6-4-3-5-17(16)20/h3-6,10-11,14,19,21-22,30,33-35H,7-9,12-13,29H2,1-2H3,(H,31,36)(H,38,39)/t14?,19-,21+,22+/m1/s1 |
| InChIKey | WVYIXBYYAHYOIW-UBTPQBRHSA-N |
| Literature Reference Author | Y.ASAI,N.NONAKA,M.NISHINO,K.OKAMURA,T.DATE,T.SUGITA,T.OHNUKI ,S.KOMATSUBARA |
| Literature Reference Citation | J.ANTIBIOTICS,50,653(1997) |
| Literature Reference DOI | 10.7164/antibiotics.50.653 |
| Molecular Weight | 554.600 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS24868 |