(4R)-2-Oxo-3,4abeta-dimethyl-4alpha-[[(Z)-2-methyl-2-butenoyl]oxy]-9aalpha-ethoxy-2,4,4a,5,6,7,8,8abeta,9,9a-decahydronaphtho[2,3-b]furan-5beta-carboxylic acid

(4R)-2-Oxo-3,4abeta-dimethyl-4alpha-[[(Z)-2-methyl-2-butenoyl]oxy]-9aalpha-ethoxy-2,4,4a,5,6,7,8,8abeta,9,9a-decahydronaphtho[2,3-b]furan-5beta-carboxylic acid

Common Name: (4R)-2-Oxo-3,4abeta-dimethyl-4alpha-[[(Z)-2-methyl-2-butenoyl]oxy]-9aalpha-ethoxy-2,4,4a,5,6,7,8,8abeta,9,9a-decahydronaphtho[2,3-b]furan-5beta-carboxylic acid

Synonyms: (4R)-2-Oxo-3,4abeta-dimethyl-4alpha-[[(Z)-2-methyl-2-butenoyl]oxy]-9aalpha-ethoxy-2,4,4a,5,6,7,8,8abeta,9,9a-decahydronaphtho[2,3-b]furan-5beta-carboxylic acid

CAS Registry Number:

InChI: InChI=1S/C22H30O7/c1-6-12(3)19(25)28-17-16-13(4)20(26)29-22(16,27-7-2)11-14-9-8-10-15(18(23)24)21(14,17)5/h6,14-15,17H,7-11H2,1-5H3,(H,23,24)/b12-6-/t14-,15-,17+,21+,22-/m1/s1

InChIKey: InChIKey=LOFFUBZQKBEUDI-YIOGSJBBSA-N

Formula: C22H30O7

Molecular Weight: 406.470247

Exact Mass: 406.199153

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Xu, Y.J., Nan, Z.D., Li, W.H., Huang, H.L., Yuan, C.S. Helv Chim Acta (2009) 92, 209-16

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 (CH2) 25.1
2 (CH2) 24.7
3 (CH2) 18.6
4 (CH) 41.7
5 (C) 41.8
6 (CH) 71.8
7 (C) 150.1
8 (C) 106.5
9 (CH2) 38.4
10 (CH) 35.4
11 (C) 132.1
12 (C) 171.3
13 (CH3) 9.4
14 (CH3) 18.7
15 (C) 179.7
6a (C) 166.9
6b (C) 127.1
6c (CH) 140.9
6d (CH3) 16.2
6ba (CH3) 20.8
8a (CH2) 58.7
8b (CH3) 15