Peregrinone

Peregrinone

Common Name: Peregrinone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H26O5/c1-12-10-14-16-18(2,7-5-15(21)19(16,3)17(22)25-14)20(12,23)8-4-13-6-9-24-11-13/h6,9,11-12,14,16,23H,4-5,7-8,10H2,1-3H3/t12-,14-,16-,18+,19+,20-/m1/s1

InChIKey: InChIKey=NMTGXAKMAWZRIF-YCXIAQJUSA-N

Formula: C20H26O5

Molecular Weight: 346.418202

Exact Mass: 346.178024

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Khalil, A.T., Gedara, S.R., Lahloub, M.F., Halim, A.F. Phytochemistry (1996) 41, 1569-71

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) 34.6
2 (CH2) 34
3 (C) 206.8
4 (C) 53.1
5 (CH) 46.6
6 (CH) 74.8
7 (CH2) 31
8 (CH) 31.5
9 (C) 75.2
10 (C) 40
11 (CH2) 28.7
12 (CH2) 20.9
13 (C) 124.7
14 (CH) 110.5
15 (CH) 143.2
16 (CH) 138.6
17 (CH3) 15.9
18 (CH3) 18
19 (C) 174.7
20 (CH3) 20.5