| SpectraBase Spectrum ID |
DRkd4kvv35a |
| Name |
(3R*,4R*,4aR*,9R*)-3,9-dihydroxy-1,4,4a,7-tetramethyl-3,4,4a,5,8,9-hexahydro-2H-benzo[a]cyclohepten-2-one |
| Alternate Name(s) |
9-Hydroxy-3-epi-perforenone A |
| Appearance |
oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H22O3 |
| InChI |
InChI=1S/C15H22O3/c1-8-5-6-15(4)10(3)14(18)13(17)9(2)12(15)11(16)7-8/h5,10-11,14,16,18H,6-7H2,1-4H3/t10-,11+,14+,15+/m0/s1 |
| InChIKey |
STLDUPLKJSWMBL-RBDSIQFVSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020274v |
| Molecular Weight |
250.338 g/mol |
| Optical Rotation |
[a]D22 = -11.0 (c = 0.2, CHCl3) |
| Reported Formula |
C15H22O3 |
| SMILES |
O[C@]1(C(C(=C2[C@](CC=C(C[C@]2(O)[H])C)([C@]1(C)[H])C)C)=O)[H] |
| SPLASH |
splash10-0udi-0910000000-dda42765260a4e72b14b |
| Source of Spectrum |
G4-66-437-2 |
| Wiley ID |
1881251 |
