| SpectraBase Spectrum ID |
54Ry9gsz2ln |
| Name |
Carnosic acid .gamma.-lactone 12-chloroacetate |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H27ClO4 |
| InChI |
InChI=1S/C22H27ClO4/c1-12(2)14-10-13-6-7-15-21(3,4)8-5-9-22(15)17(13)19(27-20(22)25)18(14)26-16(24)11-23/h10,12,15H,5-9,11H2,1-4H3/t15?,22-/m1/s1 |
| InChIKey |
AAEUQVNIVFLJQI-ZZAPORBBSA-N |
| Instrument Name |
VG Micromass ZAB-2F |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np900822x |
| Molecular Weight |
390.907 g/mol |
| Optical Rotation |
[a]D20 = +70 (c = 0.18, CHCl3) |
| Reported Formula |
C22H27ClO4 |
| SMILES |
C1C[C@]23C(C(C1)(C)C)CCc1c3c(c(c(c1)C(C)C)OC(=O)CCl)OC2=O |
| SPLASH |
splash10-02t9-2059000000-577afb9537ad9557dcfb |
| Source of Spectrum |
G4-73-642-6 |
| Wiley ID |
1846428 |
