| SpectraBase Compound ID | 6j93dabs023 |
|---|---|
| InChI | InChI=1S/C38H50Br2N4O/c1-9-36(5,6)38-18-20-43(8)35(38)44(30-22-27(39)13-14-28(30)38)23-26-21-29(40)32-31(33(26)45)37(17-19-42(7)34(37)41-32)16-15-25(4)12-10-11-24(2)3/h9,11,13-15,21-22,34-35,41,45H,1,10,12,16-20,23H2,2-8H3/b25-15+/t34-,35+,37-,38+/m0/s1 |
| InChIKey | DNDQVXIUZMCVPG-MXGFLTEXSA-N |
| Mol Weight | 738.7 g/mol |
| Molecular Formula | C38H50Br2N4O |
| Exact Mass | 736.235138 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JpC78W2JWom |
|---|---|
| Name | Flustramine P |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H50Br2N4O |
| InChI | InChI=1S/C38H50Br2N4O/c1-9-36(5,6)38-18-20-43(8)35(38)44(30-22-27(39)13-14-28(30)38)23-26-21-29(40)32-31(33(26)45)37(17-19-42(7)34(37)41-32)16-15-25(4)12-10-11-24(2)3/h9,11,13-15,21-22,34-35,41,45H,1,10,12,16-20,23H2,2-8H3/b25-15+/t34-,35+,37-,38+/m0/s1 |
| InChIKey | DNDQVXIUZMCVPG-MXGFLTEXSA-N |
| Molecular Weight | 738.653 g/mol |
| SMILES | N1[C@@]2([C@](c3c(c(cc(c13)Br)CN1[C@@]3([C@@](C(C=C)(C)C)(CCN3C)c3c1cc(cc3)Br)[H])O)(CCN2C)C\C=C\(CCC=C(C)C)C)[H] |
| SPLASH | splash10-0uk9-0292000000-6fb5351f94527e1ac60f |
| Source of Spectrum | G4-72-1780-13 |
| Synonyms | (3aS,8bS)-7-[[(3aR,8bR)-6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-4-yl]methyl]-5-bromo-8b-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8-ol (3aS,8bS)-7-[[(3aR,8bR)-6-bromo-8b-(1,1-dimethylallyl)-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-4-yl]methyl]-5-bromo-8b-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8-ol (3aS,8bS)-7-[[(3aR,8bR)-6-bromanyl-3-methyl-8b-(2-methylbut-3-en-2-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-4-yl]methyl]-5-bromanyl-8b-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8-ol |
| Wiley ID | 1702187 |