| SpectraBase Compound ID | 7yNc1rJV0MP |
|---|---|
| InChI | InChI=1S/C27H26Br4ClN3O9/c1-41-23-16(30)8-27(43-11-17(23)31)25(39)21(35-44-27)26(40)34-3-2-4-42-24-14(28)5-12(6-15(24)29)20(37)10-33-9-13-19(36)7-18(32)22(13)38/h5-6,9,11,18,20,25,33,37,39H,2-4,7-8,10H2,1H3,(H,34,40)/b13-9+/t18?,20?,25-,27+/m0/s1 |
| InChIKey | FGYQWPOMHRREQY-ZXWNVCKHSA-N |
| Mol Weight | 891.59 g/mol |
| Molecular Formula | C27H26Br4ClN3O9 |
| Exact Mass | 886.809109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J2hgXLj2OMv |
|---|---|
| Name | 19-HYDROXYPSAMMAPLYSIN_X;ISOMER_2 |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H26Br4ClN3O9 |
| InChI | InChI=1S/C27H26Br4ClN3O9/c1-41-23-16(30)8-27(43-11-17(23)31)25(39)21(35-44-27)26(40)34-3-2-4-42-24-14(28)5-12(6-15(24)29)20(37)10-33-9-13-19(36)7-18(32)22(13)38/h5-6,9,11,18,20,25,33,37,39H,2-4,7-8,10H2,1H3,(H,34,40)/b13-9+/t18?,20?,25-,27+/m0/s1 |
| InChIKey | FGYQWPOMHRREQY-ZXWNVCKHSA-N |
| Literature Reference Author | Y.J.LEE,S.HAN,H.S.LEE,J.S.KANG,J.YUN,C.J.SIM,H.J.SHIN,J.S.LE E |
| Literature Reference Citation | J.NAT.PROD.,76,1731(2013) |
| Literature Reference DOI | 10.1021/np400448y |
| Molecular Weight | 891.587 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ43190 |