8(17),13-Labdadien-15,16-olide

8(17),13-Labdadien-15,16-olide

Common Name: 8(17),13-Labdadien-15,16-olide

Synonyms: 8(17),13-Labdadien-15,16-olide

CAS Registry Number:

InChI: InChI=1S/C20H30O2/c1-14-6-9-17-19(2,3)10-5-11-20(17,4)16(14)8-7-15-12-18(21)22-13-15/h12,16-17H,1,5-11,13H2,2-4H3/t16-,17-,20+/m0/s1

InChIKey: InChIKey=RUXYUBRFOACSMM-ABSDTBQOSA-N

Formula: C20H30O2

Molecular Weight: 302.45175

Exact Mass: 302.22458

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Basabe, P., Bodero, O., Marcos, I.S., Diez, D., Roman, M.d., Bianco, A., Urones, J.G. Tetrahedron (2007) 63, 11838-43

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) 38.4
2 (CH2) 19.5
3 (CH2) 42.2
4 (C) 33.8
5 (CH) 55.7
6 (CH2) 21.4
7 (CH2) 39.4
8 (C) 148.5
9 (CH) 56.3
10 (C) 40
11 (CH2) 24.6
12 (CH2) 27.7
13 (C) 171.4
14 (CH) 115.3
15 (C) 174.4
16 (CH2) 73.4
17 (CH2) 106.7
18 (CH3) 33.3
19 (CH3) 21.9
20 (CH3) 14.7