ent-15β,16β-Epoxykauran-19-oic acid

ent-15β,16β-Epoxykauran-19-oic acid

Common Name: ent-15β,16β-Epoxykauran-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O3/c1-17-8-4-9-18(2,16(21)22)13(17)7-10-20-11-12(5-6-14(17)20)19(3)15(20)23-19/h12-15H,4-11H2,1-3H3,(H,21,22)/t12-,13+,14+,15+,17-,18-,19+,20-/m1/s1

InChIKey: InChIKey=REINKLWVLCQOIC-NOPGUSNKSA-N

Formula: C20H30O3

Molecular Weight: 318.451155

Exact Mass: 318.219495

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Gaspar-Marques, C., Simoes, M.F., Duarte, A., Rodriguez, B. J Nat Prod (2003) 66, 491-6

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) 40.77
2 (CH2) 18.96
3 (CH2) 37.79
4 (C) 43.73
5 (CH) 56.73
6 (CH2) 20.56
7 (CH2) 35.71
8 (C) 43.73
9 (CH) 49.61
10 (C) 39.44
11 (CH2) 18.26
12 (CH2) 26.96
13 (CH) 39.08
14 (CH2) 32.13
15 (CH) 68.06
16 (C) 61.4
17 (CH3) 14.56
18 (CH3) 28.92
19 (C) 183.69
20 (CH3) 15.29