| SpectraBase Spectrum ID |
FqFgpWxXEHw |
| Name |
(1S,3Z,7E,11S,12S)-(+)-Verticilla-3,7-dien-12,20-diol 20-acetate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H36O3 |
| InChI |
InChI=1S/C22H36O3/c1-16-7-6-8-18(15-25-17(2)23)10-11-19-13-14-22(5,24)20(12-9-16)21(19,3)4/h7,10,19-20,24H,6,8-9,11-15H2,1-5H3/b16-7+,18-10-/t19-,20+,22+/m1/s1 |
| InChIKey |
ONBYNDRDNDICPR-NHUDBVNLSA-N |
| Instrument Name |
Hewlett-Packard 5989B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np050323e |
| Molecular Weight |
348.527 g/mol |
| Optical Rotation |
[a] = +70 (589 nm), +74 (578 nm), +85 (546 nm), +162 (436 nm), +292 (365 nm) (c = 2.04, CHCl3) |
| Reported Formula |
C22H36O3 |
| SMILES |
O[C@@]1([C@@]2(C([C@@](CC1)(C\C=C\(CC\C=C\(CC2)C)COC(C)=O)[H])(C)C)[H])C |
| SPLASH |
splash10-05fr-0950000000-69f890f5237d9b15a90b |
| Source of Spectrum |
G4-68-1602-2 |
| Wiley ID |
1879492 |
