Labda-8(20),13(16),14-triene-3,11-dione

Labda-8(20),13(16),14-triene-3,11-dione

Common Name: Labda-8(20),13(16),14-triene-3,11-dione

Synonyms: Labda-8(20),13(16),14-triene-3,11-dione

CAS Registry Number:

InChI: InChI=1S/C20H28O2/c1-7-13(2)12-15(21)18-14(3)8-9-16-19(4,5)17(22)10-11-20(16,18)6/h7,16,18H,1-3,8-12H2,4-6H3/t16-,18+,20-/m0/s1

InChIKey: InChIKey=QWHKAVBMXBNCMY-HQRMLTQVSA-N

Formula: C20H28O2

Molecular Weight: 300.435869

Exact Mass: 300.20893

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Hertewich, U.M., Zapp, J., Becker, H. Phytochemistry (2003) 63, 227-33

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) 36.7
2 (CH2) 34.4
3 (C) 215.4
4 (C) 47.7
5 (CH) 54.7
6 (CH2) 24
7 (CH2) 36
8 (C) 143.8
9 (CH) 64.8
10 (C) 38.9
11 (C) 207.4
12 (CH2) 48.7
13 (C) 139.1
14 (CH) 137.9
15 (CH2) 115.1
16 (CH2) 120
17 (CH2) 109.8
18 (CH3) 25.5
19 (CH3) 21.7
20 (CH3) 13.8