[(1r,4as,5r,8as)-1,4a-dimethyl-6-methylene-5-[2-(5-oxo-2h-furan-3-yl)ethyl]decalin-1-yl]methyl methyl butanedioate

[(1r,4as,5r,8as)-1,4a-dimethyl-6-methylene-5-[2-(5-oxo-2h-furan-3-yl)ethyl]decalin-1-yl]methyl methyl butanedioate

Common Name: [(1r,4as,5r,8as)-1,4a-dimethyl-6-methylene-5-[2-(5-oxo-2h-furan-3-yl)ethyl]decalin-1-yl]methyl methyl butanedioate

Synonyms: [(1r,4as,5r,8as)-1,4a-dimethyl-6-methylene-5-[2-(5-oxo-2h-furan-3-yl)ethyl]decalin-1-yl]methyl methyl butanedioate

CAS Registry Number:

InChI: InChI=1S/C25H36O6/c1-17-6-9-20-24(2,16-31-22(27)11-10-21(26)29-4)12-5-13-25(20,3)19(17)8-7-18-14-23(28)30-15-18/h14,19-20H,1,5-13,15-16H2,2-4H3/t19-,20-,24+,25+/m1/s1

InChIKey: InChIKey=MMRRZJHBHGKINI-QIHUWEDASA-N

Formula: C25H36O6

Molecular Weight: 432.550694

Exact Mass: 432.251189

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Galal, A.M., Abdel-Sattar, E., El-Feraly, F.S., Mossa, J.S., Meselhy, M.R., Kadota, S., Namba, T. Phytochemistry (1998) 48, 159-63

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) 38.93
2 (CH2) 18.86
3 (CH2) 36.04
4 (C) 37.41
5 (CH) 56.08
6 (CH2) 24.42
7 (CH2) 38.35
8 (C) 147.06
9 (CH) 56.17
10 (C) 39.63
11 (CH2) 21.35
12 (CH2) 27.56
13 (C) 170.83
14 (CH) 115.28
15 (C) 174.08
16 (CH2) 73.08
17 (CH2) 106.99
18 (CH3) 27.39
19 (CH2) 66.92
20 (CH3) 15.16
19a (C) 172.72
19b (CH2) 29.21
19c (CH2) 28.94
19d (C) 172.32
19ad (CH3) 51.83