| SpectraBase Compound ID | KWlDFW0RI0q |
|---|---|
| InChI | InChI=1S/C30H40N2O7/c1-4-5-10-20(2)17-21(3)12-15-28(38)31-22-19-30(39,26(36)18-25(22)35)16-9-7-6-8-11-27(37)32-29-23(33)13-14-24(29)34/h6-9,11-12,15-16,19-21,26,33,36,39H,4-5,10,13-14,17-18H2,1-3H3,(H,31,38)(H,32,37)/b7-6+,11-8+,15-12+,16-9+/t20?,21?,26-,30+/m0/s1 |
| InChIKey | VAHXVYDDBKCOFD-CCQRSHLLSA-N |
| Mol Weight | 540.7 g/mol |
| Molecular Formula | C30H40N2O7 |
| Exact Mass | 540.283552 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8m9UCcHUxV6 |
|---|---|
| Name | TMC-1-D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H40N2O7 |
| InChI | InChI=1S/C30H40N2O7/c1-4-5-10-20(2)17-21(3)12-15-28(38)31-22-19-30(39,26(36)18-25(22)35)16-9-7-6-8-11-27(37)32-29-23(33)13-14-24(29)34/h6-9,11-12,15-16,19-21,26,33,36,39H,4-5,10,13-14,17-18H2,1-3H3,(H,31,38)(H,32,37)/b7-6+,11-8+,15-12+,16-9+/t20?,21?,26-,30+/m0/s1 |
| InChIKey | VAHXVYDDBKCOFD-CCQRSHLLSA-N |
| Literature Reference Author | J.KOHNO,M.NISHIO,K.KAWANO,N.NAKANISHI,S.I.SUZUKI,T.UCHIDA,S. KOMATSUBARA |
| Literature Reference Citation | J.ANTIBIOTICS,49,1212(1996) |
| Literature Reference DOI | 10.7164/antibiotics.49.1212 |
| Molecular Weight | 540.657 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMP30 |