Common Name: 2-[(1,2,3,4,4a,7,8,8aalpha-Octahydro-1,2alpha,4aalpha,5-tetramethyl-7-oxonaphthalen)-1alpha-yl]acetic acid
Synonyms: 2-[(1,2,3,4,4a,7,8,8aalpha-Octahydro-1,2alpha,4aalpha,5-tetramethyl-7-oxonaphthalen)-1alpha-yl]acetic acid
CAS Registry Number:
InChI: InChI=1S/C16H24O3/c1-10-5-6-15(3)11(2)7-12(17)8-13(15)16(10,4)9-14(18)19/h7,10,13H,5-6,8-9H2,1-4H3,(H,18,19)/t10-,13-,15+,16-/m1/s1
InChIKey: InChIKey=MJDNZVAXLBRIKN-YONQAEKCSA-N
Formula: C16H24O3
Molecular Weight: 264.360567
Exact Mass: 264.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pinto, A.C., Garcez, W.S., Queiroz, P.P.S., Fiorani, N.G. Phytochemistry (1994) 37, 1115-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH2) | 36 |
2 (C) | 197.4 |
3 (CH) | 128.6 |
4 (C) | 167.6 |
5 (C) | 39.8 |
6 (CH2) | 29.7 |
7 (CH2) | 26.8 |
8 (CH) | 35.8 |
9 (C) | 39.6 |
10 (CH) | 46.1 |
11 (CH2) | 43.2 |
12 (C) | 174.2 |
17 (CH3) | 15.1 |
18 (CH3) | 30.7 |
19 (CH3) | 20.5 |
20 (CH3) | 23.7 |