![N-[(3S,6S,9S,12S,15S,16R)-6,9-bis(2-amino-2-keto-ethyl)-12-isopropyl-2,5,8,11,14-pentaketo-16-methyl-3-sec-butyl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-(4-hydroxyphenyl)pelargonamide](/api/spectrum/Kt8d5XODC9t/structure.png?h=300&w=458 "N-[(3S,6S,9S,12S,15S,16R)-6,9-bis(2-amino-2-keto-ethyl)-12-isopropyl-2,5,8,11,14-pentaketo-16-methyl-3-sec-butyl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-(4-hydroxyphenyl)pelargonamide")
| SpectraBase Compound ID | IjpWhSM1OYJ |
|---|---|
| InChI | InChI=1S/C38H59N7O10/c1-6-22(4)32-38(54)55-23(5)33(43-30(49)14-12-10-8-7-9-11-13-24-15-17-25(46)18-16-24)37(53)44-31(21(2)3)36(52)42-26(19-28(39)47)34(50)41-27(20-29(40)48)35(51)45-32/h15-18,21-23,26-27,31-33,46H,6-14,19-20H2,1-5H3,(H2,39,47)(H2,40,48)(H,41,50)(H,42,52)(H,43,49)(H,44,53)(H,45,51)/t22-,23-,26+,27+,31+,32+,33+/m1/s1 |
| InChIKey | JGFOVLRVPPWALM-VYWOJECDSA-N |
| Mol Weight | 773.9 g/mol |
| Molecular Formula | C38H59N7O10 |
| Exact Mass | 773.432341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kt8d5XODC9t |
|---|---|
| Name | N-[(3S,6S,9S,12S,15S,16R)-6,9-bis(2-amino-2-keto-ethyl)-12-isopropyl-2,5,8,11,14-pentaketo-16-methyl-3-sec-butyl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-(4-hydroxyphenyl)pelargonamide |
| Compound Number | 1B' |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H59N7O10 |
| InChI | InChI=1S/C38H59N7O10/c1-6-22(4)32-38(54)55-23(5)33(43-30(49)14-12-10-8-7-9-11-13-24-15-17-25(46)18-16-24)37(53)44-31(21(2)3)36(52)42-26(19-28(39)47)34(50)41-27(20-29(40)48)35(51)45-32/h15-18,21-23,26-27,31-33,46H,6-14,19-20H2,1-5H3,(H2,39,47)(H2,40,48)(H,41,50)(H,42,52)(H,43,49)(H,44,53)(H,45,51)/t22-,23-,26+,27+,31+,32+,33+/m1/s1 |
| InChIKey | JGFOVLRVPPWALM-VYWOJECDSA-N |
| Literature Reference Author | M.SPEITLING,O.F.SMETANINA,T.A.KUZNETSOVA,H.LAATSCH |
| Literature Reference Citation | J.ANTIBIOTICS,60,36(2007) |
| Literature Reference DOI | 10.1038/ja.2007.5 |
| Molecular Weight | 773.927 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWDB1149 |