| SpectraBase Compound ID | CBTnLo2OaYS |
|---|---|
| InChI | InChI=1S/C32H42N6O7/c1-4-19(2)27-32(45)37-24(16-22-13-9-6-10-14-22)30(43)36-23(15-21-11-7-5-8-12-21)29(42)34-20(3)28(41)33-17-26(40)35-25(18-39)31(44)38-27/h5-14,19-20,23-25,27,39H,4,15-18H2,1-3H3,(H,33,41)(H,34,42)(H,35,40)(H,36,43)(H,37,45)(H,38,44)/t19?,20-,23-,24-,25-,27-/m0/s1 |
| InChIKey | PMMISECAXPWOSB-MBWGKFPKSA-N |
| Mol Weight | 622.7 g/mol |
| Molecular Formula | C32H42N6O7 |
| Exact Mass | 622.311498 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ikz56Az7Yj5 |
|---|---|
| Name | DELAVAYIN-B;CYClO-(-GLY-SER-ILE-PHE-PHE-ALA-) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H42N6O7 |
| InChI | InChI=1S/C32H42N6O7/c1-4-19(2)27-32(45)37-24(16-22-13-9-6-10-14-22)30(43)36-23(15-21-11-7-5-8-12-21)29(42)34-20(3)28(41)33-17-26(40)35-25(18-39)31(44)38-27/h5-14,19-20,23-25,27,39H,4,15-18H2,1-3H3,(H,33,41)(H,34,42)(H,35,40)(H,36,43)(H,37,45)(H,38,44)/t19?,20-,23-,24-,25-,27-/m0/s1 |
| InChIKey | PMMISECAXPWOSB-MBWGKFPKSA-N |
| Literature Reference Author | H.MORITA,T.KAYASHITA,A.UCHIDA,K.TAKEYA,H.ITOKAWA |
| Literature Reference Citation | J.NAT.PROD.,60,212(1997) |
| Literature Reference DOI | 10.1021/np960616v |
| Molecular Weight | 622.721 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCP112 |