5-Hydroxy-4-[2-[[(1S)-1,2,3,4,4a,7,8,8abeta-octahydro-1alpha,2alpha,4aalpha,5-tetramethylnaphthalen]-1-yl]ethyl]furan-2(5H)-one

5-Hydroxy-4-[2-[[(1S)-1,2,3,4,4a,7,8,8abeta-octahydro-1alpha,2alpha,4aalpha,5-tetramethylnaphthalen]-1-yl]ethyl]furan-2(5H)-one

Common Name: 5-Hydroxy-4-[2-[[(1S)-1,2,3,4,4a,7,8,8abeta-octahydro-1alpha,2alpha,4aalpha,5-tetramethylnaphthalen]-1-yl]ethyl]furan-2(5H)-one

Synonyms: 5-Hydroxy-4-[2-[[(1S)-1,2,3,4,4a,7,8,8abeta-octahydro-1alpha,2alpha,4aalpha,5-tetramethylnaphthalen]-1-yl]ethyl]furan-2(5H)-one

CAS Registry Number:

InChI: InChI=1S/C20H30O3/c1-13-6-5-7-16-19(13,3)10-8-14(2)20(16,4)11-9-15-12-17(21)23-18(15)22/h6,12,14,16,18,22H,5,7-11H2,1-4H3/t14-,16+,18?,19+,20+/m1/s1

InChIKey: InChIKey=LVSCWEDTMWAASP-RQRNCZJESA-N

Formula: C20H30O3

Molecular Weight: 318.451155

Exact Mass: 318.219495

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Hara, N., Asaki, H., Fujimoto, Y., Gupta, Y.K., Singh, A.K., Sahai, M. Phytochemistry (1995) 38, 189-94

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) 18.3
2 (CH2) 26.8
3 (CH) 120.3
4 (C) 144.3
5 (C) 38.1
6 (CH2) 36.7
7 (CH2) 27.4
8 (CH) 36.3
9 (C) 38.6
10 (CH) 46.5
11 (CH2) 34.8
12 (CH2) 21.3
13 (C) 171
14 (CH) 116.8
15 (C) 172
16 (CH) 99.3
17 (CH3) 15.9
18 (CH3) 17.9
19 (CH3) 19.9
20 (CH3) 18.1