| SpectraBase Compound ID | LvEfhk3w4HJ |
|---|---|
| InChI | InChI=1S/C48H76N10O16/c1-26(2)12-10-8-6-4-5-7-9-11-13-29-21-39(65)52-33(22-37(49)63)44(70)54-32(20-28-14-16-30(62)17-15-28)43(69)55-34(23-38(50)64)45(71)57-35(24-59)46(72)53-31(18-19-40(66)67)42(68)56-36(25-60)47(73)58-41(27(3)61)48(74)51-29/h14-17,26-27,29,31-36,41,59-62H,4-13,18-25H2,1-3H3,(H2,49,63)(H2,50,64)(H,51,74)(H,52,65)(H,53,72)(H,54,70)(H,55,69)(H,56,68)(H,57,71)(H,58,73)(H,66,67) |
| InChIKey | DURIFQIRQRYIFB-UHFFFAOYSA-N |
| Mol Weight | 1049.2 g/mol |
| Molecular Formula | C48H76N10O16 |
| Exact Mass | 1048.544076 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CxfUsbL3yM6 |
|---|---|
| Name | BACILLOMYCIN-LC-#3 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76N10O16 |
| InChI | InChI=1S/C48H76N10O16/c1-26(2)12-10-8-6-4-5-7-9-11-13-29-21-39(65)52-33(22-37(49)63)44(70)54-32(20-28-14-16-30(62)17-15-28)43(69)55-34(23-38(50)64)45(71)57-35(24-59)46(72)53-31(18-19-40(66)67)42(68)56-36(25-60)47(73)58-41(27(3)61)48(74)51-29/h14-17,26-27,29,31-36,41,59-62H,4-13,18-25H2,1-3H3,(H2,49,63)(H2,50,64)(H,51,74)(H,52,65)(H,53,72)(H,54,70)(H,55,69)(H,56,68)(H,57,71)(H,58,73)(H,66,67) |
| InChIKey | DURIFQIRQRYIFB-UHFFFAOYSA-N |
| Literature Reference Author | S.M.ESHITA,N.H.ROBERTO,J.M.BEALE,B.M.MAMIYA,R.F.WORKMAN |
| Literature Reference Citation | J.ANTIBIOTICS,48,1240(1995) |
| Literature Reference DOI | 10.7164/antibiotics.48.1240 |
| Molecular Weight | 1049.189 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS24820 |