| SpectraBase Compound ID | BZqXthLjSpb |
|---|---|
| InChI | InChI=1S/C39H55N7O13S/c1-21(2)31(45-29(47)18-26-15-11-8-12-16-26)38(54)44-28(20-60(57,58)59)36(52)42-24(6)35(51)46-32(33(49)22(3)4)37(53)40-19-30(48)41-23(5)34(50)43-27(39(55)56)17-25-13-9-7-10-14-25/h7-16,21-24,27-28,31-33,49H,17-20H2,1-6H3,(H,40,53)(H,41,48)(H,42,52)(H,43,50)(H,44,54)(H,45,47)(H,46,51)(H,55,56)(H,57,58,59)/t23-,24+,27+,28-,31+,32-,33+/m1/s1 |
| InChIKey | LDYZAOFAJYXPFY-LVIJEMCTSA-N |
| Mol Weight | 862.0 g/mol |
| Molecular Formula | C39H55N7O13S |
| Exact Mass | 861.357856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5FD1gCGuYYk |
|---|---|
| Name | JBIR-95;PAA-VAL-CYA-ALA2-HLE-GLY-ALA1-PHE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H55N7O13S |
| InChI | InChI=1S/C39H55N7O13S/c1-21(2)31(45-29(47)18-26-15-11-8-12-16-26)38(54)44-28(20-60(57,58)59)36(52)42-24(6)35(51)46-32(33(49)22(3)4)37(53)40-19-30(48)41-23(5)34(50)43-27(39(55)56)17-25-13-9-7-10-14-25/h7-16,21-24,27-28,31-33,49H,17-20H2,1-6H3,(H,40,53)(H,41,48)(H,42,52)(H,43,50)(H,44,54)(H,45,47)(H,46,51)(H,55,56)(H,57,58,59)/t23-,24+,27+,28-,31+,32-,33+/m1/s1 |
| InChIKey | LDYZAOFAJYXPFY-LVIJEMCTSA-N |
| Literature Reference Author | M.IZUMIKAWA,M.TAKAGI,K.SHIN-YA |
| Literature Reference Citation | J.NAT.PROD.,75,280(2012) |
| Literature Reference DOI | 10.1021/np2008279 |
| Molecular Weight | 861.965 g/mol |
| Sample ID | 40084 |
| Solvent | DMSO-D6 |