[(1R,2R,4aalpha,5'E)-2alpha,5,5,8abeta-Tetramethyl-4',5'-dihydrospiro[decalin-1,2'(3'H)-furan]-5'-ylidene]acetic acid

[(1R,2R,4aalpha,5'E)-2alpha,5,5,8abeta-Tetramethyl-4',5'-dihydrospiro[decalin-1,2'(3'H)-furan]-5'-ylidene]acetic acid

Common Name: [(1R,2R,4aalpha,5'E)-2alpha,5,5,8abeta-Tetramethyl-4',5'-dihydrospiro[decalin-1,2'(3'H)-furan]-5'-ylidene]acetic acid

Synonyms: [(1R,2R,4aalpha,5'E)-2alpha,5,5,8abeta-Tetramethyl-4',5'-dihydrospiro[decalin-1,2'(3'H)-furan]-5'-ylidene]acetic acid

CAS Registry Number:

InChI: InChI=1S/C19H30O3/c1-13-6-7-15-17(2,3)9-5-10-18(15,4)19(13)11-8-14(22-19)12-16(20)21/h12-13,15H,5-11H2,1-4H3,(H,20,21)/b14-12+/t13-,15+,18+,19-/m1/s1

InChIKey: InChIKey=JRTIPZZHBKLULA-LUTBCUFTSA-N

Formula: C19H30O3

Molecular Weight: 306.440419

Exact Mass: 306.219495

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kiuchi, F., Matsuo, K., Ito, M., Qui, T.K., Honda, G. Chem Pharm Bull (2004) 52, 1492-4

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) 31.2
2 (CH2) 18.3
3 (CH2) 41.5
4 (C) 33.3
5 (CH) 46.7
6 (CH2) 21.3
7 (CH2) 31.2
8 (CH) 36.6
9 (C) 98.9
10 (C) 42.4
11 (CH2) 26.3
12 (CH2) 32.2
13 (C) 181.1
14 (CH) 86.6
15 (C) 173.9
17 (CH3) 15.7
18 (CH3) 33.3
19 (CH3) 21.8
20 (CH3) 16.7