13(S)-13-Hydroxy-atis-16-ene-3,14-dione

13(S)-13-Hydroxy-atis-16-ene-3,14-dione

Common Name: 13(S)-13-Hydroxy-atis-16-ene-3,14-dione

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H28O3/c1-11-10-20-8-5-13-18(2,3)15(21)6-7-19(13,4)14(20)9-12(11)16(22)17(20)23/h12-14,16,22H,1,5-10H2,2-4H3/t12-,13+,14-,16+,19+,20-/m1/s1

InChIKey: InChIKey=UQKJSKXVMBIKGF-OVNPJXQSSA-N

Formula: C20H28O3

Molecular Weight: 316.435274

Exact Mass: 316.203845

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) 36.73
2 (CH2) 34.04
3 (C) 216.06
4 (C) 47.35
5 (CH) 55.21
6 (CH2) 19.98
7 (CH2) 30.42
8 (C) 47.5
9 (CH) 51.16
10 (C) 37.58
11 (CH2) 25.39
12 (CH) 44.86
13 (CH) 75.16
14 (C) 217.96
15 (CH2) 43.77
16 (C) 142.3
17 (CH2) 111.13
18 (CH3) 26.21
19 (CH3) 21.85
20 (CH3) 13.72