Atis-15-ene-3,14-dione

Atis-15-ene-3,14-dione

Common Name: Atis-15-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/h11,13-15H,5-10H2,1-4H3/t13-,14-,15+,19-,20+/m0/s1

InChIKey: InChIKey=IFSMKUYJMXCCQN-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) 38.11
2 (CH2) 34.26
3 (C) 216.58
4 (C) 47.64
5 (CH) 55.38
6 (CH2) 20.03
7 (CH2) 29.4
8 (C) 52.34
9 (CH) 53.93
10 (C) 37.04
11 (CH2) 26.68
12 (CH) 37.04
13 (CH2) 41.63
14 (C) 213.94
15 (CH) 128.21
16 (C) 146.28
17 (CH3) 21.72
18 (CH3) 25.94
19 (CH3) 19.91
20 (CH3) 12.69