(3aR)-1,4beta-Dimethyl-6beta-(methacryloyloxy)-7beta-(1-acetoxy-1-methylethyl)-2,3,3abeta,4,5,6,7,8-octahydroazulene-2-one

(3aR)-1,4beta-Dimethyl-6beta-(methacryloyloxy)-7beta-(1-acetoxy-1-methylethyl)-2,3,3abeta,4,5,6,7,8-octahydroazulene-2-one

Common Name: (3aR)-1,4beta-Dimethyl-6beta-(methacryloyloxy)-7beta-(1-acetoxy-1-methylethyl)-2,3,3abeta,4,5,6,7,8-octahydroazulene-2-one

Synonyms: (3aR)-1,4beta-Dimethyl-6beta-(methacryloyloxy)-7beta-(1-acetoxy-1-methylethyl)-2,3,3abeta,4,5,6,7,8-octahydroazulene-2-one

CAS Registry Number:

InChI: InChI=1S/C21H30O5/c1-11(2)20(24)25-19-8-12(3)15-10-18(23)13(4)16(15)9-17(19)21(6,7)26-14(5)22/h12,15,17,19H,1,8-10H2,2-7H3/t12-,15+,17-,19+/m0/s1

InChIKey: InChIKey=JMIQQXQWNZHMDB-MJFFMMMISA-N

Formula: C21H30O5

Molecular Weight: 362.460701

Exact Mass: 362.209324

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Lee, I.K., Lee, J.H., Hwang, E.I., Yun, B.S. Chem Pharm Bull (2008) 56, 1483-5

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (CH) 51.3
2 (CH2) 41.5
3 (C) 208.4
4 (C) 135.4
5 (C) 174
6 (CH2) 25.8
7 (CH) 46.7
8 (CH) 71.7
9 (CH2) 40.4
10 (CH) 33.6
11 (C) 84.6
12 (CH3) 24.8
13 (CH3) 24.3
14 (CH3) 22.9
15 (CH3) 8.3
8a (C) 166.3
8b (C) 136.8
8c (CH2) 126.1
8ba (CH3) 18.6
11a (C) 170.6
11b (CH3) 22.9