(4aR)-3-(1-Hydroxy-1-methylethyl)-5alpha-(formyloxy)-5,8abeta-dimethyl-6alpha-[[(2S,3S)-2,3-dimethyloxirane-2-yl]carbonyloxy]-1,2,4aalpha,5,6,7,8,8a-octahydronaphthalene-2-one

(4aR)-3-(1-Hydroxy-1-methylethyl)-5alpha-(formyloxy)-5,8abeta-dimethyl-6alpha-[[(2S,3S)-2,3-dimethyloxirane-2-yl]carbonyloxy]-1,2,4aalpha,5,6,7,8,8a-octahydronaphthalene-2-one

Common Name: (4aR)-3-(1-Hydroxy-1-methylethyl)-5alpha-(formyloxy)-5,8abeta-dimethyl-6alpha-[[(2S,3S)-2,3-dimethyloxirane-2-yl]carbonyloxy]-1,2,4aalpha,5,6,7,8,8a-octahydronaphthalene-2-one

Synonyms: (4aR)-3-(1-Hydroxy-1-methylethyl)-5alpha-(formyloxy)-5,8abeta-dimethyl-6alpha-[[(2S,3S)-2,3-dimethyloxirane-2-yl]carbonyloxy]-1,2,4aalpha,5,6,7,8,8a-octahydronaphthalene-2-one

CAS Registry Number:

InChI: InChI=1S/C21H30O7/c1-12-20(5,28-12)17(24)27-16-7-8-19(4)10-14(23)13(18(2,3)25)9-15(19)21(16,6)26-11-22/h9,11-12,15-16,25H,7-8,10H2,1-6H3/t12-,15+,16+,19+,20-,21-/m0/s1

InChIKey: InChIKey=VPJNAZAFPFWEKA-FJBYUCRNSA-N

Formula: C21H30O7

Molecular Weight: 394.459511

Exact Mass: 394.199153

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Vera, N., Misico, R., Sierra, M.G., Asakawa, Y., Bardon, A. Phytochemistry (2008) 69, 1689-94

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) 31.9
2 (CH2) 23.1
3 (CH) 72.9
4 (C) 82.6
5 (CH) 59.6
6 (CH) 140.6
7 (C) 145.5
8 (C) 199.8
9 (CH2) 48.4
10 (C) 39.1
11 (C) 71.7
12 (CH3) 29.1
13 (CH3) 28.7
14 (CH3) 18.1
15 (CH3) 19.1
3a (C) 168.2
3b (C) 59.8
3c (CH) 59.7
3d (CH3) 13.8
3ba (CH3) 19.1
4a (CH) 159