| SpectraBase Compound ID | D3PT3KQp9PH |
|---|---|
| InChI | InChI=1S/C34H27Br5N4O10/c35-18-10-16-2-4-41-34(49)23(43-51)11-17-25(45)12-21(38)32(29(17)39)53-28-9-15(6-20(37)31(28)47)7-22(42-50)33(48)40-3-1-14-5-19(36)30(46)27(8-14)52-26(18)13-24(16)44/h5-6,8-10,12-13,44-47,50-51H,1-4,7,11H2,(H,40,48)(H,41,49)/b42-22+,43-23+ |
| InChIKey | ZFSTWMBDMZIGJR-GXABEWBWSA-N |
| Mol Weight | 1051.1 g/mol |
| Molecular Formula | C34H27Br5N4O10 |
| Exact Mass | 1045.764408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3g6JqKYKlK4 |
|---|---|
| Name | LITHOTHAMMIN_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H25Br5N4O10 |
| InChI | InChI=1S/C34H27Br5N4O10/c35-18-10-16-2-4-41-34(49)23(43-51)11-17-25(45)12-21(38)32(29(17)39)53-28-9-15(6-20(37)31(28)47)7-22(42-50)33(48)40-3-1-14-5-19(36)30(46)27(8-14)52-26(18)13-24(16)44/h5-6,8-10,12-13,44-47,50-51H,1-4,7,11H2,(H,40,48)(H,41,49)/b42-22+,43-23+ |
| InChIKey | ZFSTWMBDMZIGJR-GXABEWBWSA-N |
| Literature Reference Author | A.W.W.VANWYK,K.M.ZUCK,T.C.MCKEE |
| Literature Reference Citation | J.NAT.PROD.,74,1275(2011) |
| Literature Reference DOI | 10.1021/np1006795 |
| Molecular Weight | 1049.113 g/mol |
| Sample ID | 38341 |
| Solvent | C5D5N |