ent-11a,12a,17-Trihydroxy-16-ketobeyeran-19-oic acid

ent-11a,12a,17-Trihydroxy-16-ketobeyeran-19-oic acid

Common Name: ent-11a,12a,17-Trihydroxy-16-ketobeyeran-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O6/c1-17-5-3-6-18(2,16(25)26)11(17)4-7-19-8-12(22)20(9-19,10-21)15(24)13(23)14(17)19/h11,13-15,21,23-24H,3-10H2,1-2H3,(H,25,26)/t11-,13+,14-,15+,17+,18+,19-,20+/m0/s1

InChIKey: InChIKey=YFUMZELOSMSSFO-YDOLGPEISA-N

Formula: C20H30O6

Molecular Weight: 366.44937

Exact Mass: 366.204239

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Hsu, F.L., Hou, C.C., Yang, L.M., Cheng, J.T., Chi, T.C., Liu, P.C., Lin, S.J. J Nat Prod (2002) 65, 273-7

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) 42.9
2 (CH2) 20.4
3 (CH2) 38.9
4 (C) 44.6
5 (CH) 57.9
6 (CH2) 22.8
7 (CH2) 43.2
8 (C) 40.9
9 (CH) 56.3
10 (C) 40.3
11 (CH) 71
12 (CH) 73.7
13 (C) 62
14 (CH2) 42.3
15 (CH2) 50.5
16 (C) 218.8
17 (CH2) 62.5
18 (CH3) 30.2
19 (C) 180.6
20 (CH3) 14.2