Ent-7α,12β-dihydroxy-16-oxobeyeran-19-oic acid

Ent-7α,12β-dihydroxy-16-oxobeyeran-19-oic acid

Common Name: Ent-7α,12β-dihydroxy-16-oxobeyeran-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O5/c1-17-5-4-6-18(2,16(24)25)11(17)7-14(22)20-9-15(23)19(3,10-20)13(21)8-12(17)20/h11-14,21-22H,4-10H2,1-3H3,(H,24,25)/t11-,12-,13-,14-,17+,18+,19+,20+/m0/s1

InChIKey: InChIKey=ZZDPMWCVXMBHAS-IQAXHZPKSA-N

Formula: C20H30O5

Molecular Weight: 350.449965

Exact Mass: 350.209324

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Lin, C.L., Lin, S.J., Huang, W.J., Ku, Y.L., Tsai, T.H., Hsu, F.L. Planta Med (2007) 73, 1581-7

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 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) 40.7
2 (CH2) 20.3
3 (CH2) 39.3
4 (C) 44.1
5 (CH) 47.8
6 (CH2) 31.4
7 (CH) 75.4
8 (C) 44.8
9 (CH) 49.3
10 (C) 38.9
11 (CH2) 31.6
12 (CH) 76.7
13 (C) 54.9
14 (CH2) 50
15 (CH2) 48.3
16 (C) 218.7
17 (CH3) 17.9
18 (CH3) 29.9
19 (C) 181.1
20 (CH3) 14.1