ent-16b,17-Epoxykauran-19-oic acid

ent-16b,17-Epoxykauran-19-oic acid

Common Name: ent-16b,17-Epoxykauran-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O3/c1-17-7-3-8-18(2,16(21)22)14(17)6-9-19-10-13(4-5-15(17)19)20(11-19)12-23-20/h13-15H,3-12H2,1-2H3,(H,21,22)/t13-,14+,15+,17-,18-,19+,20+/m1/s1

InChIKey: InChIKey=YDGXRSPFVBSYLM-INIPNLRTSA-N

Formula: C20H30O3

Molecular Weight: 318.451155

Exact Mass: 318.219495

NMR Solvent: P+C

MHz:

Calibration:

NMR references: 13C - Fraga, B.M., Gonzalez, P., Guillermo, R., Hanson, J.R., Hernandez, M.G., Takahashi, J.A. Phytochemistry (1994) 37, 717-21

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) 40.7
2 (CH2) 19.6
3 (CH2) 37.7
4 (C) 43.7
5 (CH) 56.9
6 (CH2) 21.7
7 (CH2) 41.1
8 (C) 45.4
9 (CH) 55
10 (C) 39.7
11 (CH2) 19
12 (CH2) 29
13 (CH) 42.5
14 (CH2) 38.4
15 (CH2) 48.7
16 (C) 66.4
17 (CH2) 50.4
18 (CH3) 28.9
19 (C) 183.8
20 (CH3) 15.8