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

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

Common Name: Ent-11b,13,16b,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+/m1/s1

InChIKey: InChIKey=CLZMFZXKAVMDSS-NOKSUCCBSA-N

Formula: C20H32O6

Molecular Weight: 368.465252

Exact Mass: 368.219889

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Yang, L.M., Hsu, F.L., Chang, S.F., Cheng, J.T., Hsu, J.Y., Hsu, C.Y., Liu, P.C., Lin, S.J. Phytochemistry (2007) 68, 562-70

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) 41.9
2 (CH2) 18.8
3 (CH2) 37.7
4 (C) 43
5 (CH) 57.1
6 (CH2) 21.8
7 (CH2) 43.1
8 (C) 40.5
9 (CH) 57.6
10 (C) 40.2
11 (CH) 68.2
12 (CH2) 43.6
13 (C) 77.9
14 (CH2) 43.7
15 (CH2) 50.4
16 (C) 77.8
17 (CH2) 63.8
18 (CH3) 29.2
19 (C) 178.8
20 (CH3) 15.8