(1S,8aalpha)-1,4abeta-Dimethyl-5alpha-[2-(2-oxo-5-methoxy-2,5-dihydrofuran-3-yl)ethyl]-6-methylenedecalin-1beta-carboxylic acid

(1S,8aalpha)-1,4abeta-Dimethyl-5alpha-[2-(2-oxo-5-methoxy-2,5-dihydrofuran-3-yl)ethyl]-6-methylenedecalin-1beta-carboxylic acid

Common Name: (1S,8aalpha)-1,4abeta-Dimethyl-5alpha-[2-(2-oxo-5-methoxy-2,5-dihydrofuran-3-yl)ethyl]-6-methylenedecalin-1beta-carboxylic acid

Synonyms: (1S,8aalpha)-1,4abeta-Dimethyl-5alpha-[2-(2-oxo-5-methoxy-2,5-dihydrofuran-3-yl)ethyl]-6-methylenedecalin-1beta-carboxylic acid

CAS Registry Number:

InChI: InChI=1S/C21H30O5/c1-13-6-9-16-20(2,10-5-11-21(16,3)19(23)24)15(13)8-7-14-12-17(25-4)26-18(14)22/h12,15-17H,1,5-11H2,2-4H3,(H,23,24)/t15-,16-,17?,20-,21+/m1/s1

InChIKey: InChIKey=OREKSZUASHFFQA-MZGGREPNSA-N

Formula: C21H30O5

Molecular Weight: 362.460701

Exact Mass: 362.209324

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Koo, K.A., Sung, S.H., Kim, Y.C. Chem Pharm Bull (2002) 50, 834-6

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 39
2 (CH2) 19.7
3 (CH2) 37.8
4 (C) 44
5 (CH) 56.3
6 (CH2) 25.9
7 (CH2) 38.4
8 (C) 147.4
9 (CH) 55.6
10 (C) 40.4
11 (CH2) 21.7
12 (CH2) 24.5
13 (C) 139.1
14 (CH) 141.7
15 (CH) 102
16 (C) 171
17 (CH2) 106.7
18 (CH3) 28.8
19 (C) 183.9
20 (CH3) 12.8
15a (CH3) 57.9