| SpectraBase Compound ID | AjSmwr5E5pu |
|---|---|
| InChI | InChI=1S/C40H59Br4N3O8/c1-4-27(2)18-15-13-11-9-7-5-6-8-10-12-14-16-19-34(49)46-25-33(48)28-22-29(41)37(30(42)23-28)53-21-17-20-45-39(51)35-38(50)40(55-47-35)24-31(43)36(52-3)32(44)26-54-40/h22-23,26-27,33,38,48,50H,4-21,24-25H2,1-3H3,(H,45,51)(H,46,49)/t27?,33?,38-,40+/m0/s1 |
| InChIKey | DQJLVGRIHIYDEL-VYGGKNCYSA-N |
| Mol Weight | 1029.5 g/mol |
| Molecular Formula | C40H59Br4N3O8 |
| Exact Mass | 1025.103568 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JwL8Vu51cOE |
|---|---|
| Name | 19-HYDROXYPSAMMAPLYSIN_T |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H59Br4N3O8 |
| InChI | InChI=1S/C40H59Br4N3O8/c1-4-27(2)18-15-13-11-9-7-5-6-8-10-12-14-16-19-34(49)46-25-33(48)28-22-29(41)37(30(42)23-28)53-21-17-20-45-39(51)35-38(50)40(55-47-35)24-31(43)36(52-3)32(44)26-54-40/h22-23,26-27,33,38,48,50H,4-21,24-25H2,1-3H3,(H,45,51)(H,46,49)/t27?,33?,38-,40+/m0/s1 |
| InChIKey | DQJLVGRIHIYDEL-VYGGKNCYSA-N |
| Literature Reference Author | I.W.MUDIANTA,T.SKINNER-ADAMS,K.T.ANDREWS,R.A.DAVIS,T.A.HADI, P.Y.HAYES,M.J.GARSON |
| Literature Reference Citation | J.NAT.PROD.,75,2132(2012) |
| Literature Reference DOI | 10.1021/np300560b |
| Molecular Weight | 1029.540 g/mol |
| Sample ID | 41728 |
| Solvent | CDCl3 |