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)
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 |