Atis-16-ene-3,14-dione

Atis-16-ene-3,14-dione

Common Name: Atis-16-ene-3,14-dione

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H28O2/c1-12-11-20-8-5-14-18(2,3)16(21)6-7-19(14,4)15(20)9-13(12)10-17(20)22/h13-15H,1,5-11H2,2-4H3/t13-,14-,15+,19-,20+/m0/s1

InChIKey: InChIKey=CLDFJAHUCRFIDS-QPUUTROZSA-N

Formula: C20H28O2

Molecular Weight: 300.435869

Exact Mass: 300.20893

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Abad, A., Agullo, C., Cunat, A.C., Marzal, I.D.A., Gris, A., Navarro, I., de Arellano, C.R. Tetrahedron (2007) 63, 1664-79

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Atisanes; 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) 37.18
2 (CH2) 34.09
3 (C) 216.42
4 (C) 47.68
5 (CH) 55.33
6 (CH2) 20.02
7 (CH2) 31.17
8 (C) 47.59
9 (CH) 51.84
10 (C) 37.18
11 (CH2) 27.86
12 (CH) 38.3
13 (CH2) 44.56
14 (C) 216.14
15 (CH2) 42.61
16 (C) 147.07
17 (CH2) 107.15
18 (CH3) 21.83
19 (CH3) 25.95
20 (CH3) 12.77