SpectraBase Spectrum ID |
45ZZPMT82sN |
Name |
Carnosic acid .gamma.-lactone 12-phenylacetate |
Appearance |
Pale yellow oil |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C28H32O4 |
InChI |
InChI=1S/C28H32O4/c1-17(2)20-16-19-11-12-21-27(3,4)13-8-14-28(21)23(19)25(32-26(28)30)24(20)31-22(29)15-18-9-6-5-7-10-18/h5-7,9-10,16-17,21H,8,11-15H2,1-4H3/t21?,28-/m1/s1 |
InChIKey |
WPBGUWULBJTYOR-ZSTWXAJCSA-N |
Instrument Name |
VG Micromass ZAB-2F |
Ionization Type |
EI |
Literature Reference DOI |
10.1021/np900822x |
Molecular Weight |
432.560 g/mol |
Optical Rotation |
[a]D20 = +59 (c = 0.20, CHCl3) |
Reported Formula |
C27H32O4 |
SMILES |
c1(OC(Cc2ccccc2)=O)c2OC(=O)[C@]34c2c(cc1C(C)C)CCC4C(C)(C)CCC3 |
SPLASH |
splash10-000i-1090100000-130936a808c3d81bdd46 |
Source of Spectrum |
G4-73-642-16 |
Wiley ID |
1846423 |