(2β)-2,17-Dihydroxy-16-oxobeyeran-18-oic acid

(2β)-2,17-Dihydroxy-16-oxobeyeran-18-oic acid

Common Name: (2β)-2,17-Dihydroxy-16-oxobeyeran-18-oic acid

Synonyms:

CAS Registry Number:

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

InChIKey: InChIKey=KMKPSMWXDMKNAT-JNQXFYDPSA-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) 49.6
2 (CH) 63.4
3 (CH2) 48.2
4 (C) 45.1
5 (CH) 56.4
6 (CH2) 22.2
7 (CH2) 41.6
8 (C) 39.4
9 (CH) 55.3
10 (C) 39.7
11 (CH2) 20.1
12 (CH2) 32.6
13 (C) 55.1
14 (CH2) 49
15 (CH2) 49.7
16 (C) 220.3
17 (CH2) 63.6
18 (CH3) 29.3
19 (C) 180
20 (CH3) 14.7