| SpectraBase Compound ID | HcTQ3jk440a |
|---|---|
| InChI | InChI=1S/C38H55Br4N3O8/c1-4-25(2)16-13-11-9-7-5-6-8-10-12-14-17-32(47)44-23-31(46)26-20-27(39)35(28(40)21-26)51-19-15-18-43-37(49)33-36(48)38(53-45-33)22-29(41)34(50-3)30(42)24-52-38/h20-21,24-25,31,36,46,48H,4-19,22-23H2,1-3H3,(H,43,49)(H,44,47)/t25?,31?,36-,38+/m0/s1 |
| InChIKey | CTASBXHQQJVFAI-PJDZQEOOSA-N |
| Mol Weight | 1001.5 g/mol |
| Molecular Formula | C38H55Br4N3O8 |
| Exact Mass | 997.072268 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7jO3mJAW8Fm |
|---|---|
| Name | 19-HYDROXYPSAMMAPLYSIN_S |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H55Br4N3O8 |
| InChI | InChI=1S/C38H55Br4N3O8/c1-4-25(2)16-13-11-9-7-5-6-8-10-12-14-17-32(47)44-23-31(46)26-20-27(39)35(28(40)21-26)51-19-15-18-43-37(49)33-36(48)38(53-45-33)22-29(41)34(50-3)30(42)24-52-38/h20-21,24-25,31,36,46,48H,4-19,22-23H2,1-3H3,(H,43,49)(H,44,47)/t25?,31?,36-,38+/m0/s1 |
| InChIKey | CTASBXHQQJVFAI-PJDZQEOOSA-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 | 1001.486 g/mol |
| Sample ID | 41726 |
| Solvent | CDCl3 |