3(R)-3-Hydroxy-atis-16-ene-2,14-dione

3(R)-3-Hydroxy-atis-16-ene-2,14-dione

Common Name: 3(R)-3-Hydroxy-atis-16-ene-2,14-dione

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H28O3/c1-11-9-20-6-5-14-18(2,3)17(23)13(21)10-19(14,4)15(20)7-12(11)8-16(20)22/h12,14-15,17,23H,1,5-10H2,2-4H3/t12-,14-,15+,17-,19-,20+/m0/s1

InChIKey: InChIKey=DSGJNNDCMDMSTM-OOWHTTHHSA-N

Formula: C20H28O3

Molecular Weight: 316.435274

Exact Mass: 316.203845

NMR Solvent: C6D6

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) 50.62
2 (C) 209.43
3 (CH) 82.62
4 (C) 45.36
5 (CH) 53.42
6 (CH2) 19.19
7 (CH2) 31.28
8 (C) 47.61
9 (CH) 51.69
10 (C) 43.88
11 (CH2) 27.27
12 (CH) 38.55
13 (CH2) 44.29
14 (C) 213.25
15 (CH2) 42.44
16 (C) 147.65
17 (CH2) 106.74
18 (CH3) 29.31
19 (CH3) 16.51
20 (CH3) 13.88