(7β)-7,17-Dihydroxy-16-oxobeyeran-18-oic acid

(7β)-7,17-Dihydroxy-16-oxobeyeran-18-oic acid

Common Name: (7β)-7,17-Dihydroxy-16-oxobeyeran-18-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O5/c1-17-5-3-6-18(2,16(24)25)13(17)8-14(22)20-9-15(23)19(10-20,11-21)7-4-12(17)20/h12-14,21-22H,3-11H2,1-2H3,(H,24,25)/t12-,13-,14-,17-,18+,19-,20+/m0/s1

InChIKey: InChIKey=NUCXXWJLDKZKRN-PGUXHAPNSA-N

Formula: C20H30O5

Molecular Weight: 350.449965

Exact Mass: 350.209324

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Chang, S.F., Yang, L.M., Hsu, F.L., Hsu, J.Y., Liaw, J.H., Lin, S.J. J Nat Prod (2006) 69, 1450-5

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) 40.1
2 (CH2) 19.7
3 (CH2) 38.7
4 (C) 43.5
5 (CH) 47.6
6 (CH2) 30.8
7 (CH) 75.6
8 (C) 44.4
9 (CH) 49.9
10 (C) 38.5
11 (CH2) 19.9
12 (CH2) 33.1
13 (C) 55.1
14 (CH2) 45.7
15 (CH2) 48.9
16 (C) 220.4
17 (CH2) 64
18 (CH3) 29.2
19 (C) 180.4
20 (CH3) 13.5