| SpectraBase Spectrum ID |
1aNIw8a0TnO |
| Name |
Diacetyleleganodiol |
| Appearance |
oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H28O4 |
| InChI |
InChI=1S/C19H28O4/c1-12(2)17-9-7-13(3)18(22-15(5)20)10-8-14(4)19(11-17)23-16(6)21/h17-19H,1,3-4,7-11H2,2,5-6H3/t17-,18-,19+/m1/s1 |
| InChIKey |
VCCQYOUFYQWLLH-QRVBRYPASA-N |
| Instrument Name |
Micromass model Autospec |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020390y |
| Molecular Weight |
320.429 g/mol |
| Optical Rotation |
[a]D29 = +9 (c = 0.005, CHCl3) |
| Reported Formula |
C19H28O4 |
| SMILES |
C1[C@](C(CC[C@](C[C@@](C(C1)=C)(OC(C)=O)[H])(C(=C)C)[H])=C)(OC(C)=O)[H] |
| SPLASH |
splash10-0pc0-1930000000-88da2dfbdf34938f17b1 |
| Source of Spectrum |
G4-66-947-1a |
| Wiley ID |
1881428 |
