Aframodial

Aframodial

Common Name: Aframodial

Synonyms: Aframodial

CAS Registry Number:

InChI: InChI=1S/C20H30O3/c1-18(2)9-4-10-19(3)16(18)7-11-20(14-23-20)17(19)6-5-15(13-22)8-12-21/h5,12-13,16-17H,4,6-11,14H2,1-3H3/b15-5+/t16-,17+,19-,20+/m0/s1

InChIKey: InChIKey=ZAWCPGMKVKTLKI-NOFOYWHNSA-N

Formula: C20H30O3

Molecular Weight: 318.451155

Exact Mass: 318.219495

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ngo, K.S., Brown, G.D. Phytochemistry (1998) 47, 1117-23

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) 39.3
2 (CH2) 18.5
3 (CH2) 41.8
4 (C) 33.5
5 (CH) 54.9
6 (CH2) 20
7 (CH2) 35.7
8 (C) 57.5
9 (CH) 52.6
10 (C) 39.8
11 (CH2) 22.3
12 (CH) 160.3
13 (C) 135
14 (CH2) 39.3
15 (CH) 196.7
16 (CH) 192.8
17 (CH2) 48.8
18 (CH3) 33.5
19 (CH3) 21.7
20 (CH3) 14.6