Common Name: 4-[2-(1,2alpha,5,5-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1beta-yl)ethyl]-5-hydroxyfuran-2(5H)-one
Synonyms: 4-[2-(1,2alpha,5,5-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1beta-yl)ethyl]-5-hydroxyfuran-2(5H)-one
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-13-7-8-15-16(6-5-10-19(15,2)3)20(13,4)11-9-14-12-17(21)23-18(14)22/h12-13,18,22H,5-11H2,1-4H3/t13-,18?,20+/m1/s1
InChIKey: InChIKey=QSRQARANMBXJAZ-NPXLQLOVSA-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 : Halimanes; 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) | 25.2 |
2 (CH2) | 19.9 |
3 (CH2) | 39.8 |
4 (C) | 34.5 |
5 (C) | 138.3 |
6 (CH2) | 25.7 |
7 (CH2) | 21.1 |
8 (CH) | 33.6 |
9 (C) | 40.7 |
10 (C) | 131.1 |
11 (CH2) | 32.8 |
12 (CH2) | 22.7 |
13 (C) | 171 |
14 (CH) | 116.8 |
15 (C) | 171.7 |
16 (CH) | 99.1 |
17 (CH3) | 16.1 |
18 (CH3) | 27.6 |
19 (CH3) | 29.2 |
20 (CH3) | 20.9 |