Common Name: rac-(3aS,4R,5S,7aR)-methyl 5-isopropyl-7a-methyl-1-oxooctahydro-1H-indene-4-carboxylate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O3/c1-9(2)10-7-8-15(3)11(5-6-12(15)16)13(10)14(17)18-4/h9-11,13H,5-8H2,1-4H3/t10-,11-,13+,15+/m0/s1
InChIKey: InChIKey=ZEZIATZTIOAOHJ-HTTKSJEASA-N
Formula: C15H24O3
Molecular Weight: 252.349831
Exact Mass: 252.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Findley, T.J., Sucunza, D., Miller, L.C., Helm, M.D., Helliwell, M., Davies, D.T., Procter, D.J. Org Biomol Chem (2011) 9, 2433-51
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Isoiphionanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Position | PPM |
---|---|
1 (C) | 222 |
2 (CH2) | 35.4 |
3 (CH2) | 24.1 |
4 (C) | 174.9 |
5 (CH) | 45.1 |
6 (CH) | 43.6 |
7 (CH) | 41.4 |
8 (CH2) | 28.9 |
9 (CH2) | 21.9 |
10 (C) | 47.1 |
11 (CH) | 28.8 |
12 (CH3) | 21.1 |
13 (CH3) | 21.6 |
14 (CH3) | 20.4 |
4a (CH3) | 51.3 |