CHEMBL3234608

CHEMBL3234608

Common Name: CHEMBL3234608

Synonyms: CHEMBL3234608

CAS Registry Number:

InChI: InChI=1S/C20H32O4/c1-13-15(21)16(22)17-18(2,3)8-5-9-19(17,4)20(13,23)10-6-14-7-11-24-12-14/h7,11-13,15-17,21-23H,5-6,8-10H2,1-4H3/t13-,15-,16-,17+,19+,20-/m1/s1

InChIKey: InChIKey=NFEYELMBFDLTKE-DWIQROTPSA-N

Formula: C20H32O4

Molecular Weight: 336.466442

Exact Mass: 336.23006

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Marcos, I.S., Castaneda, L., Basabe, P., Diez, D., Urones, J.G. Tetrahedron (2008) 64, 10860-6

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) 35.3
2 (CH2) 18.9
3 (CH2) 43.7
4 (C) 34.4
5 (CH) 47.6
6 (CH) 70.6
7 (CH) 74.2
8 (CH) 38.3
9 (C) 78.8
10 (C) 43.4
11 (CH2) 21.7
12 (CH2) 30
13 (C) 125.5
14 (CH) 111
15 (CH) 143.2
16 (CH) 138.7
17 (CH3) 11.5
18 (CH3) 34
19 (CH3) 25
20 (CH3) 19.9