| SpectraBase Compound ID | 8xC8yYt2v00 |
|---|---|
| InChI | InChI=1S/C50H70N8O13/c1-26(2)23-35-43(63)51-34-20-21-39(62)58(48(34)68)38(25-31-13-10-9-11-14-31)49(69)56(8)37(24-32-16-18-33(61)19-17-32)45(65)53-40(27(3)4)50(70)71-29(6)42(47(67)52-35)55-46(66)41(28(5)59)54-44(64)36-15-12-22-57(36)30(7)60/h9-11,13-14,16-19,26-29,34-42,59,61-62H,12,15,20-25H2,1-8H3,(H,51,63)(H,52,67)(H,53,65)(H,54,64)(H,55,66)/t28-,29-,34+,35+,36+,37+,38+,39-,40+,41+,42+/m1/s1 |
| InChIKey | NGRWMTIDCSTQOO-XADDPKOHSA-N |
| Mol Weight | 991.2 g/mol |
| Molecular Formula | C50H70N8O13 |
| Exact Mass | 990.506234 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FYEcAwHqWkg |
|---|---|
| Name | KEMPOPEPTIN_A;TRANS_CONFORMER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H70N8O13 |
| InChI | InChI=1S/C50H70N8O13/c1-26(2)23-35-43(63)51-34-20-21-39(62)58(48(34)68)38(25-31-13-10-9-11-14-31)49(69)56(8)37(24-32-16-18-33(61)19-17-32)45(65)53-40(27(3)4)50(70)71-29(6)42(47(67)52-35)55-46(66)41(28(5)59)54-44(64)36-15-12-22-57(36)30(7)60/h9-11,13-14,16-19,26-29,34-42,59,61-62H,12,15,20-25H2,1-8H3,(H,51,63)(H,52,67)(H,53,65)(H,54,64)(H,55,66)/t28-,29-,34+,35+,36+,37+,38+,39-,40+,41+,42+/m1/s1 |
| InChIKey | NGRWMTIDCSTQOO-XADDPKOHSA-N |
| Literature Reference Author | K.TAORI,V.J.PAUL,H.LUESCH |
| Literature Reference Citation | J.NAT.PROD.,71,1625(2008) |
| Literature Reference DOI | 10.1021/np8002172 |
| Molecular Weight | 991.152 g/mol |
| Sample ID | 29069 |
| Solvent | DMSO-D6 |