13,14,15,16-tetranor-7-Labden-l7,12-olide

13,14,15,16-tetranor-7-Labden-l7,12-olide

Common Name: 13,14,15,16-tetranor-7-Labden-l7,12-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C16H24O2/c1-15(2)8-4-9-16(3)12-7-10-18-14(17)11(12)5-6-13(15)16/h5,12-13H,4,6-10H2,1-3H3/t12-,13-,16+/m0/s1

InChIKey: InChIKey=NSOSZHUQSHPOOM-HEHGZKQESA-N

Formula: C16H24O2

Molecular Weight: 248.361162

Exact Mass: 248.17763

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Urones, J.G., Marcos, I.S., Basabe, P., Diez, D., Garrido, N.M., Alonso, C., Oliva, I.M., Lithgow, A.M., Moro, R.F., Sexmero, M.J., Lopez, C. Phytochemistry (1994) 35, 713-9

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) 38.9
2 (CH2) 18.6
3 (CH2) 42
4 (C) 34.8
5 (CH) 49
6 (CH2) 22.8
7 (CH) 142.8
8 (C) 126.6
9 (CH) 49.8
10 (C) 42
11 (CH2) 25.2
12 (CH2) 68.5
17 (C) 165.6
18 (CH3) 32.9
19 (CH3) 21.5
20 (CH3) 13.4