| SpectraBase Compound ID | 3FFxddrnCCR |
|---|---|
| InChI | InChI=1S/C27H31Br4N7O6.ClH/c1-42-22-17(30)10-27(23(39)20(22)31)11-19(38-44-27)25(41)34-4-2-6-43-21-15(28)7-13(8-16(21)29)9-18(32)24(40)35-5-3-14-12-36-26(33)37-14;/h7-8,10,12,18,23,39H,2-6,9,11,32H2,1H3,(H,34,41)(H,35,40)(H3,33,36,37);1H/t18-,23-,27+;/m1./s1 |
| InChIKey | YZBRLTOGCKFJKZ-IKWZAXTMSA-N |
| Mol Weight | 905.7 g/mol |
| Molecular Formula | C27H32Br4ClN7O6 |
| Exact Mass | 900.883611 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AZtXAmCiUlJ |
|---|---|
| Name | PSEUDOCERATININE-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H32Br4ClN7O6 |
| InChI | InChI=1S/C27H31Br4N7O6.ClH/c1-42-22-17(30)10-27(23(39)20(22)31)11-19(38-44-27)25(41)34-4-2-6-43-21-15(28)7-13(8-16(21)29)9-18(32)24(40)35-5-3-14-12-36-26(33)37-14;/h7-8,10,12,18,23,39H,2-6,9,11,32H2,1H3,(H,34,41)(H,35,40)(H3,33,36,37);1H/t18-,23-,27+;/m1./s1 |
| InChIKey | YZBRLTOGCKFJKZ-IKWZAXTMSA-N |
| Literature Reference Author | A.BENHARREF,M.PAIS,C.DEBITUS |
| Literature Reference Citation | J.NAT.PROD.,59,177(1996) |
| Literature Reference DOI | 10.1021/np9600457 |
| Molecular Weight | 905.663 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP2605 |