| SpectraBase Compound ID | DltlthgU0pS |
|---|---|
| InChI | InChI=1S/C42H65N7O9/c1-11-16-30(50)44-31(22(2)3)37(52)48-35-26(10)58-42(57)34(25(8)9)47-39(54)33(24(6)7)46-38(53)32(23(4)5)45-36(51)29-19-15-20-49(29)41(56)28(43-40(35)55)21-27-17-13-12-14-18-27/h12-14,17-18,22-26,28-29,31-35H,11,15-16,19-21H2,1-10H3,(H,43,55)(H,44,50)(H,45,51)(H,46,53)(H,47,54)(H,48,52)/t26-,28-,29+,31+,32+,33+,34+,35+/m1/s1 |
| InChIKey | ITHVGOYCXWIZMQ-DJFTVNPESA-N |
| Mol Weight | 812.0 g/mol |
| Molecular Formula | C42H65N7O9 |
| Exact Mass | 811.484377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3VqPJJ30kRi |
|---|---|
| Name | XENTRIVALPEPTIDE_D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H65N7O9 |
| InChI | InChI=1S/C42H65N7O9/c1-11-16-30(50)44-31(22(2)3)37(52)48-35-26(10)58-42(57)34(25(8)9)47-39(54)33(24(6)7)46-38(53)32(23(4)5)45-36(51)29-19-15-20-49(29)41(56)28(43-40(35)55)21-27-17-13-12-14-18-27/h12-14,17-18,22-26,28-29,31-35H,11,15-16,19-21H2,1-10H3,(H,43,55)(H,44,50)(H,45,51)(H,46,53)(H,47,54)(H,48,52)/t26-,28-,29+,31+,32+,33+,34+,35+/m1/s1 |
| InChIKey | ITHVGOYCXWIZMQ-DJFTVNPESA-N |
| Literature Reference Author | Q.ZHOU,A.DOWLING,H.HEIDE,J.WOEHNERT,U.BRANDT,J.BAUM,R.FFRENC H-CONSTANT,H.B.BODE |
| Literature Reference Citation | J.NAT.PROD.,75,1717(2012) |
| Literature Reference DOI | 10.1021/np300279g |
| Molecular Weight | 812.020 g/mol |
| Sample ID | 41505 |
| Solvent | CD3OD |