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)
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 |