2-[(1,2,3,4,4a,7,8,8aalpha-Octahydro-1,2alpha,4aalpha,5-tetramethyl-7-oxonaphthalen)-1alpha-yl]acetic acid

2-[(1,2,3,4,4a,7,8,8aalpha-Octahydro-1,2alpha,4aalpha,5-tetramethyl-7-oxonaphthalen)-1alpha-yl]acetic acid

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)

Carbon NMR Peaks

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