| SpectraBase Spectrum ID |
KijLRc0p7bf |
| Name |
Flustramine O |
| Appearance |
Oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H42Br2N4 |
| InChI |
InChI=1S/C33H42Br2N4/c1-9-30(3,4)32-15-17-36(7)28(32)38(26-19-22(34)11-13-24(26)32)21-39-27-20-23(35)12-14-25(27)33(31(5,6)10-2)16-18-37(8)29(33)39/h9-14,19-20,28-29H,1-2,15-18,21H2,3-8H3/t28-,29-,32-,33-/m1/s1 |
| InChIKey |
YBRPFYGCUNUSTC-HDFRUCAHSA-N |
| Instrument Name |
Dupont model 21-110B double-focusing |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np900282j |
| Molecular Weight |
654.535 g/mol |
| Optical Rotation |
[a]D = -211 (c = 0.63, CHCl3) |
| Reported Formula |
C33H42(81)Br2N4 |
| SMILES |
c1cc(cc2c1[C@]1([C@@](N2CN2c3c(ccc(c3)Br)[C@]3([C@@]2(N(CC3)C)[H])C(C=C)(C)C)(N(CC1)C)[H])C(C=C)(C)C)Br |
| SPLASH |
splash10-0fki-2323093000-c73fb4df8a81d84cf037 |
| Source of Spectrum |
G4-72-1780-12 |
| Thin-Layer Chromatography |
Rf = 0.35 |
| Wiley ID |
1872068 |
