(4S,4aR)-4-[(3S)-3-Hydroxy-3-methylpent-4-enyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one
7864
Reference
(4S,4aR)-4-[(3S)-3-Hydroxy-3-methylpent-4-enyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one Structure
Systematic / IUPAC Name: (4S,4aR)-4-[(3S)-3-Hydroxy-3-methylpent-4-enyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one
ID: Reference7864
Other Names: (4S)-3,4Aα,8,8-Tetramethyl-4α-[(S)-3-hydroxy-3-methyl-4-pentenyl]-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1-one
Formula: C20H32O2
Spectral Data
(4S,4aR)-4-[(3S)-3-Hydroxy-3-methylpent-4-enyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-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 FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/1/2018 9:06:43 AM |
Identificators
| InChI | InChI=1S/C20H32O2/c1-7-19(5,22)12-9-15-14(2)13-16(21)17-18(3,4)10-8-11-20(15,17)6/h7,13,15,17,22H,1,8-12H2,2-6H3/t15-,17?,19+,20+/m0/s1 |
| InChI Key | SGKBPTZDIUXCMW-BCMWCWJPSA-N |
| Canonical SMILES | CC1=CC(=O)C2C(CCCC2(C1CCC(C)(C=C)O)C)(C)C |
| CAS | |
| Splash | |
| Other Names | (4S)-3,4Aα,8,8-Tetramethyl-4α-[(S)-3-hydroxy-3-methyl-4-pentenyl]-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1-one |
In Other Databases
| PubChem | 15715623 |