| SpectraBase Spectrum ID |
HbpF4w6Gu |
| Name |
Pulchralide B |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H20Br4O4 |
| InChI |
InChI=1S/C18H20Br4O4/c1-3-5-7-9-11(19)17(25-15(9)23)13(21)14(22)18(17)12(20)10(8-6-4-2)16(24)26-18/h13-14H,3-8H2,1-2H3/t13-,14-,17+,18+/m0/s1 |
| InChIKey |
DFESJTKMRBQMAZ-LBTBCDHLSA-N |
| Instrument Name |
Micromass 70-VSE |
| Ionization Type |
EI Positive ion |
| Literature Reference DOI |
10.1021/np049965c |
| Molecular Weight |
619.970 g/mol |
| Optical Rotation |
[a]D25 = +4.3 (c = 0.06, CHCl3) |
| Reported Formula |
C18H20O4(79)Br2(81)Br2 |
| SMILES |
[C@@]12([C@]3([C@]([C@@]2(Br)[H])(Br)[H])C(=C(C(O3)=O)CCCC)Br)OC(C(=C1Br)CCCC)=O |
| SPLASH |
splash10-0m4k-4210963000-13764b0031a30c0eed47 |
| Source of Spectrum |
G4-67-SM14-2 |
| Wiley ID |
1884053 |
