Ent-12β-hydroxy-16-oxobeyeran-19-oic acid

Ent-12β-hydroxy-16-oxobeyeran-19-oic acid

Common Name: Ent-12β-hydroxy-16-oxobeyeran-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O4/c1-17-6-4-7-18(2,16(23)24)12(17)5-8-20-10-15(22)19(3,11-20)14(21)9-13(17)20/h12-14,21H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,17+,18+,19+,20-/m0/s1

InChIKey: InChIKey=KHHQDXVAFQEBIY-HMKGDKMBSA-N

Formula: C20H30O4

Molecular Weight: 334.45056

Exact Mass: 334.214409

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) 40.6
2 (CH2) 20.1
3 (CH2) 39.1
4 (C) 44.4
5 (CH) 57.2
6 (CH2) 22.9
7 (CH2) 41.5
8 (C) 40
9 (CH) 54.9
10 (C) 38.9
11 (CH2) 31.8
12 (CH) 76.6
13 (C) 55.1
14 (CH2) 53.4
15 (CH2) 49.1
16 (C) 218.6
17 (CH3) 17.7
18 (CH3) 30
19 (C) 180.5
20 (CH3) 14.2