| SpectraBase Compound ID | 1Rnb7IZ9CZF |
|---|---|
| InChI | InChI=1S/C34H53N5O7/c1-8-9-13-22(6)27-18-28(40)35-19-29(41)39-30(21(4)5)33(44)37-25(16-20(2)3)32(43)36-23(7)31(42)38-26(34(45)46-27)17-24-14-11-10-12-15-24/h10-12,14-15,20-23,25-27,30H,8-9,13,16-19H2,1-7H3,(H,35,40)(H,36,43)(H,37,44)(H,38,42)(H,39,41)/t22?,23-,25+,26-,27-,30-/m0/s1 |
| InChIKey | HVPYLVISSBODEY-AQVZVHCSSA-N |
| Mol Weight | 643.8 g/mol |
| Molecular Formula | C34H53N5O7 |
| Exact Mass | 643.394499 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1t2GowHgr2R |
|---|---|
| Name | SCOPULARIDE_B;CYCLO-(3-HYDROXY-4-METHYLOCTANOYL-GLY-L-VYL-D-LEU-L-ALA-L-PHE) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H53N5O7 |
| InChI | InChI=1S/C34H53N5O7/c1-8-9-13-22(6)27-18-28(40)35-19-29(41)39-30(21(4)5)33(44)37-25(16-20(2)3)32(43)36-23(7)31(42)38-26(34(45)46-27)17-24-14-11-10-12-15-24/h10-12,14-15,20-23,25-27,30H,8-9,13,16-19H2,1-7H3,(H,35,40)(H,36,43)(H,37,44)(H,38,42)(H,39,41)/t22?,23-,25+,26-,27-,30-/m0/s1 |
| InChIKey | HVPYLVISSBODEY-AQVZVHCSSA-N |
| Literature Reference Author | Z.YU,G.LANG,I.KAJAHN,R.SCHMALJOHANN,J.F.IMHOFF |
| Literature Reference Citation | J.NAT.PROD.,71,1052(2008) |
| Literature Reference DOI | 10.1021/np070580e |
| Molecular Weight | 643.824 g/mol |
| Sample ID | 28101 |
| Solvent | CD3OD |