Isobutyric acid 2,8-dioxo-3,4abeta,5beta-trimethyl-9aalpha-hydroxy-2,4,4a,5,6,7,8,9a-octahydronaphtho[2,3-b]furan-4beta-yl ester

Isobutyric acid 2,8-dioxo-3,4abeta,5beta-trimethyl-9aalpha-hydroxy-2,4,4a,5,6,7,8,9a-octahydronaphtho[2,3-b]furan-4beta-yl ester

Common Name: Isobutyric acid 2,8-dioxo-3,4abeta,5beta-trimethyl-9aalpha-hydroxy-2,4,4a,5,6,7,8,9a-octahydronaphtho[2,3-b]furan-4beta-yl ester

Synonyms: Isobutyric acid 2,8-dioxo-3,4abeta,5beta-trimethyl-9aalpha-hydroxy-2,4,4a,5,6,7,8,9a-octahydronaphtho[2,3-b]furan-4beta-yl ester

CAS Registry Number:

InChI: InChI=1S/C19H24O6/c1-9(2)16(21)24-15-14-11(4)17(22)25-19(14,23)8-12-13(20)7-6-10(3)18(12,15)5/h8-10,15,23H,6-7H2,1-5H3/t10-,15+,18+,19+/m0/s1

InChIKey: InChIKey=MJGISWBGKLYRQD-IGQKQQENSA-N

Formula: C19H24O6

Molecular Weight: 348.39099

Exact Mass: 348.157289

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Fei, D.Q., Zhang, Z.X., Chen, J.J., Gao, K Planta Med (2007) 73, 1292-7

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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 (C) 201.4
2 (CH2) 39.8
3 (CH2) 28.5
4 (CH) 40.7
5 (C) 49.8
6 (CH) 75.9
7 (C) 153.3
8 (C) 99.8
9 (CH) 126.1
10 (C) 148
11 (C) 123.9
12 (C) 170.2
13 (CH3) 8.2
14 (CH3) 13.3
15 (CH3) 17.3
6a (C) 176.1
6b (CH) 34.1
6c (CH3) 18.7
6ba (CH3) 18.5