(1S,4aalpha)-beta-Oxo-2-methylene-5,5,8abeta-trimethyldecalin-1beta-butyric acid methyl ester

(1S,4aalpha)-beta-Oxo-2-methylene-5,5,8abeta-trimethyldecalin-1beta-butyric acid methyl ester

Common Name: (1S,4aalpha)-beta-Oxo-2-methylene-5,5,8abeta-trimethyldecalin-1beta-butyric acid methyl ester

Synonyms: (1S,4aalpha)-beta-Oxo-2-methylene-5,5,8abeta-trimethyldecalin-1beta-butyric acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C19H30O3/c1-13-7-8-16-18(2,3)9-6-10-19(16,4)15(13)11-14(20)12-17(21)22-5/h15-16H,1,6-12H2,2-5H3/t15-,16-,19+/m0/s1

InChIKey: InChIKey=VGCZQEXHEHQLEW-TXPKVOOTSA-N

Formula: C19H30O3

Molecular Weight: 306.440419

Exact Mass: 306.219495

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Alvarez-Manzaneda, E., Chahboun, R., Cabrera, E., Alvarez, E., Manzaneda, R.A.-., Hammouchi, M., Es-Samti, H. Tetrahedron Lett (2007) 48, 8930-4

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) 39.3
2 (CH2) 19.3
3 (CH2) 42.1
4 (C) 33.5
5 (CH) 51.4
6 (CH2) 24
7 (CH2) 37.6
8 (C) 148.8
9 (CH) 55.2
10 (C) 39
11 (CH2) 39.6
12 (C) 202.4
13 (CH2) 49.1
14 (C) 167.8
17 (CH2) 106.7
18 (CH3) 33.6
19 (CH3) 21.7
20 (CH3) 14.6
14a (CH3) 52.5