| SpectraBase Compound ID | LK36q9Na9BP |
|---|---|
| InChI | InChI=1S/C40H57Br4N3O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-34(49)46-26-33(48)28-23-29(41)37(30(42)24-28)53-22-19-21-45-39(51)35-38(50)40(55-47-35)25-31(43)36(52-2)32(44)27-54-40/h7-8,23-24,27,33,38,48,50H,3-6,9-22,25-26H2,1-2H3,(H,45,51)(H,46,49)/b8-7-/t33?,38-,40+/m0/s1 |
| InChIKey | AQQNXWXAXVFRTP-WZESJQAUSA-N |
| Mol Weight | 1027.5 g/mol |
| Molecular Formula | C40H57Br4N3O8 |
| Exact Mass | 1023.087918 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KOwUflGYaVS |
|---|---|
| Name | 19-HYDROXYPSAMMAPLYSIN_W |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H57Br4N3O8 |
| InChI | InChI=1S/C40H57Br4N3O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-34(49)46-26-33(48)28-23-29(41)37(30(42)24-28)53-22-19-21-45-39(51)35-38(50)40(55-47-35)25-31(43)36(52-2)32(44)27-54-40/h7-8,23-24,27,33,38,48,50H,3-6,9-22,25-26H2,1-2H3,(H,45,51)(H,46,49)/b8-7-/t33?,38-,40+/m0/s1 |
| InChIKey | AQQNXWXAXVFRTP-WZESJQAUSA-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 | 1027.524 g/mol |
| Sample ID | 41733 |
| Solvent | CDCl3 |