(7α,9ξ,12β)-7,12,17-Trihydroxy-16-oxobeyeran-18-oic acid

(7α,9ξ,12β)-7,12,17-Trihydroxy-16-oxobeyeran-18-oic acid

Common Name: (7α,9ξ,12β)-7,12,17-Trihydroxy-16-oxobeyeran-18-oic acid

Synonyms:

CAS Registry Number:

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

InChIKey: InChIKey=CRMZKYOTSHJHDP-SEVMHTCPSA-N

Formula: C20H30O6

Molecular Weight: 366.44937

Exact Mass: 366.204239

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Chang, S.F., Yang, L.M., Lo, C.H., Liaw, J.H., Wang, L.H., Lin, S.J. J Nat Prod (2008) 71, 87-92

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) 39.7
2 (CH2) 19.5
3 (CH2) 38.4
4 (C) 43.7
5 (CH) 54.2
6 (CH2) 32.4
7 (CH) 74.8
8 (C) 47
9 (CH) 49.7
10 (C) 38.3
11 (CH2) 29.7
12 (CH) 69.1
13 (C) 60.3
14 (CH2) 38.1
15 (CH2) 41.5
16 (C) 219.3
17 (CH2) 63.5
18 (CH3) 29.2
19 (C) 179.9
20 (CH3) 13.4