7-{[(1S,4aS,6R,8aR)-6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]methoxy}-2H-chromen-2-one
7-{[(1S,4aS,6R,8aR)-6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]methoxy}-2H-chromen-2-one Structure
Systematic / IUPAC Name: 7-{[(1S,4aS,6R,8aR)-6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]methoxy}-2H-chromen-2-one
ID: Reference7400
Other Names:
Farnesiferol A;
2H-1-Benzopyran-2-one, 7-{[(1S,4aS,6R,8aR)-decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methoxy}- ;
7-{[(1S,4aS,6R,8aR)-6-Hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl}methoxy]chromen-2-one
Formula: C24H30O4
Spectral Data
7-{[(1S,4aS,6R,8aR)-6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]methoxy}-2H-chromen-2-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 2 |
| No. of Spectra | 7935 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/13/2018 1:32:02 PM |
Identificators
| InChI | InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h6-8,10,13,18,20-21,25H,1,5,9,11-12,14H2,2-4H3/t18-,20+,21+,24-/m0/s1 |
| InChI Key | FCWYNTDTQPCVPG-WTMJVXIESA-N |
| Canonical SMILES | CC1(C2CCC(=C)C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)C |
| CAS | |
| Splash | |
| Other Names |
Farnesiferol A; 2H-1-Benzopyran-2-one, 7-{[(1S,4aS,6R,8aR)-decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methoxy}- ; 7-{[(1S,4aS,6R,8aR)-6-Hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl}methoxy]chromen-2-one |
In Other Databases
| ChEMBL | CHEMBL1078138 |
| ChemSpider | 5422537 |
| PubChem | 7067262 |