| SpectraBase Compound ID | 4smOBw00ACX |
|---|---|
| InChI | InChI=1S/C25H28Br4N4O9/c1-39-18-12(26)7-24(20(35)16(18)28)9-14(32-41-24)22(37)30-5-3-11(34)4-6-31-23(38)15-10-25(42-33-15)8-13(27)19(40-2)17(29)21(25)36/h7-8,11,20-21,34-36H,3-6,9-10H2,1-2H3,(H,30,37)(H,31,38)/t20-,21-,24+,25+/m0/s1 |
| InChIKey | QFEIAPMHJHHUFB-KXTAGPOFSA-N |
| Mol Weight | 848.13 g/mol |
| Molecular Formula | C25H28Br4N4O9 |
| Exact Mass | 843.85898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2FrRqY1gFsk |
|---|---|
| Name | (+)-12-HYDROXYAEROTHIONIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H28Br4N4O9 |
| InChI | InChI=1S/C25H28Br4N4O9/c1-39-18-12(26)7-24(20(35)16(18)28)9-14(32-41-24)22(37)30-5-3-11(34)4-6-31-23(38)15-10-25(42-33-15)8-13(27)19(40-2)17(29)21(25)36/h7-8,11,20-21,34-36H,3-6,9-10H2,1-2H3,(H,30,37)(H,31,38)/t20-,21-,24+,25+/m0/s1 |
| InChIKey | QFEIAPMHJHHUFB-KXTAGPOFSA-N |
| Literature Reference Author | N.SHAO,G.YAO,L.C.CHANG |
| Literature Reference Citation | J.NAT.PROD.,70,869(2007) |
| Literature Reference DOI | 10.1021/np060601p |
| Molecular Weight | 848.135 g/mol |
| Sample ID | 30406 |
| Solvent | ACETONE-D6 |