| SpectraBase Compound ID | 8906G8vxRBo |
|---|---|
| InChI | InChI=1S/C46H72N10O16/c1-3-4-5-6-7-8-9-10-11-12-27-20-37(63)50-31(21-35(47)61)42(68)52-30(19-26-13-15-28(60)16-14-26)41(67)53-32(22-36(48)62)43(69)55-33(23-57)44(70)51-29(17-18-38(64)65)40(66)54-34(24-58)45(71)56-39(25(2)59)46(72)49-27/h13-16,25,27,29-34,39,57-60H,3-12,17-24H2,1-2H3,(H2,47,61)(H2,48,62)(H,49,72)(H,50,63)(H,51,70)(H,52,68)(H,53,67)(H,54,66)(H,55,69)(H,56,71)(H,64,65) |
| InChIKey | JWFQJTGXLDRHIF-UHFFFAOYSA-N |
| Mol Weight | 1021.1 g/mol |
| Molecular Formula | C46H72N10O16 |
| Exact Mass | 1020.512776 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ISUrtvweNWM |
|---|---|
| Name | BACILLOPEPTIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H72N10O16 |
| InChI | InChI=1S/C46H72N10O16/c1-3-4-5-6-7-8-9-10-11-12-27-20-37(63)50-31(21-35(47)61)42(68)52-30(19-26-13-15-28(60)16-14-26)41(67)53-32(22-36(48)62)43(69)55-33(23-57)44(70)51-29(17-18-38(64)65)40(66)54-34(24-58)45(71)56-39(25(2)59)46(72)49-27/h13-16,25,27,29-34,39,57-60H,3-12,17-24H2,1-2H3,(H2,47,61)(H2,48,62)(H,49,72)(H,50,63)(H,51,70)(H,52,68)(H,53,67)(H,54,66)(H,55,69)(H,56,71)(H,64,65) |
| InChIKey | JWFQJTGXLDRHIF-UHFFFAOYSA-N |
| Literature Reference Author | Y.KAJIMURA,M.SUGIYAMA,M.KANEDA |
| Literature Reference Citation | J.ANTIBIOTICS,48,1095(1995) |
| Literature Reference DOI | 10.7164/antibiotics.48.1095 |
| Molecular Weight | 1021.135 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWRU5794 |