Ent-11a,13,16a,17-tetrahydroxykauran-19-oic acid

Ent-11a,13,16a,17-tetrahydroxykauran-19-oic acid

Common Name: Ent-11a,13,16a,17-tetrahydroxykauran-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O6/c1-16-5-3-6-17(2,15(23)24)13(16)4-7-18-9-19(25,8-12(22)14(16)18)20(26,10-18)11-21/h12-14,21-22,25-26H,3-11H2,1-2H3,(H,23,24)/t12-,13+,14-,16+,17+,18-,19-,20+/m0/s1

InChIKey: InChIKey=CLZMFZXKAVMDSS-MPTZYYOXSA-N

Formula: C20H32O6

Molecular Weight: 368.465252

Exact Mass: 368.219889

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 : Kauranes; 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) 41.7
2 (CH2) 19.7
3 (CH2) 38.5
4 (C) 43.7
5 (CH) 57.3
6 (CH2) 22.3
7 (CH2) 38.9
8 (C) 43.6
9 (CH) 58.4
10 (C) 37.4
11 (CH) 75.4
12 (CH2) 48.6
13 (C) 86.7
14 (CH2) 51.2
15 (CH2) 52.3
16 (C) 85.5
17 (CH2) 64.7
18 (CH3) 29.4
19 (C) 180.3
20 (CH3) 17.6