| SpectraBase Spectrum ID |
9VCmTOSoPfX |
| Name |
(4E,8E)-(12R,16R)-16-Hydroxy-4,8,12-trimethyl-14-oxo-bicyclo[10.2.2]hexadeca-4,8-diene-13-carboxylic acid methyl ester |
| Alternate Name(s) |
(4E,8E)-(1S,12S,16S)-16-Hydroxy-4,8,12-trimethyl-14-oxo-bicyclo[10.2.2]hexadeca-4,8-diene-13-carboxylic acid methyl ester
methyl (12R,16R)-16-hydroxy-4,8,12-trimethyl-14-oxobicyclo[10.2.2]hexadeca-4,8-diene-13-carboxylate
Methyl (1SR,4E,8E,12SR,16SR)-16-Hydroxy-4,8,12-trimethyl-14-oxobicyclo[10.2.2]hexadeca-4,8-diene-13-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O4 |
| InChI |
InChI=1S/C21H32O4/c1-14-7-5-8-15(2)10-11-16-13-17(22)21(3,12-6-9-14)18(19(16)23)20(24)25-4/h8-9,16-18,22H,5-7,10-13H2,1-4H3/b14-9+,15-8+/t16-,17-,18?,21+/m0/s1 |
| InChIKey |
TWGXDPQQEXGNEI-JARWOBFXSA-N |
| Molecular Weight |
348.483 g/mol |
| SMILES |
O[C@@]1([C@@]2(C(C([C@](C1)(CC\C(=C\CC\C(=C\CC2)C)C)[H])=O)C(=O)OC)C)[H] |
| SPLASH |
splash10-001i-9000000000-2fbaa8ae683d1d293daa |
| Source of Spectrum |
KC-1993-224-26 |
| Wiley ID |
778677 |
![(4E,8E)-(12R,16R)-16-Hydroxy-4,8,12-trimethyl-14-oxo-bicyclo[10.2.2]hexadeca-4,8-diene-13-carboxylic acid methyl ester](/api/spectrum/9VCmTOSoPfX/structure.png?h=300&w=458 "(4E,8E)-(12R,16R)-16-Hydroxy-4,8,12-trimethyl-14-oxo-bicyclo[10.2.2]hexadeca-4,8-diene-13-carboxylic acid methyl ester")
