| SpectraBase Spectrum ID |
a8Fajor1n4 |
| Name |
Diacetyleleganolactone B |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H22O7 |
| InChI |
InChI=1S/C19H22O7/c1-9-6-7-14(24-12(4)20)10(2)8-15-16(11(3)19(23)26-15)18(17(9)22)25-13(5)21/h8,14-16,18H,1,3,6-7H2,2,4-5H3/b10-8-/t14-,15-,16+,18-/m0/s1 |
| InChIKey |
GDJYGYVFZKXFMT-ZHWRTDQLSA-N |
| Instrument Name |
Micromass model Autospec |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020390y |
| Molecular Weight |
362.378 g/mol |
| Optical Rotation |
[a]D29 = +25 (c = 0.03, CHCl3) |
| Reported Formula |
C19H22O7 |
| SMILES |
C1[C@@](\C(=C/[C@]2([C@]([C@@](C(C(C1)=C)=O)(OC(C)=O)[H])(C(C(O2)=O)=C)[H])[H])C)(OC(C)=O)[H] |
| SPLASH |
splash10-03di-0983000000-152a83cb595ace265dc6 |
| Source of Spectrum |
G4-66-947-3a |
| Wiley ID |
1881431 |
