Methyl ent-13-hydroxy-15,16-epoxikauran-19-oate

Methyl ent-13-hydroxy-15,16-epoxikauran-19-oate

Common Name: Methyl ent-13-hydroxy-15,16-epoxikauran-19-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H32O4/c1-17-8-5-9-18(2,16(22)24-4)13(17)6-10-20-12-21(23,11-7-14(17)20)19(3)15(20)25-19/h13-15,23H,5-12H2,1-4H3/t13-,14-,15-,17+,18+,19+,20+,21-/m0/s1

InChIKey: InChIKey=JOKUOCAEGSLITK-WEUBXBPDSA-N

Formula: C21H32O4

Molecular Weight: 348.477178

Exact Mass: 348.23006

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - de Oliveira, B.H., Dias, S.J., Leal, P.C. J Braz Chem Soc (2005) 16, 210-3

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) 18.8
3 (CH2) 37.9
4 (C) 43.5
5 (CH) 56.5
6 (CH2) 20.4
7 (CH2) 38.4
8 (C) 43.7
9 (CH) 48.2
10 (C) 39
11 (CH2) 21.2
12 (CH2) 35.7
13 (C) 78.8
14 (CH2) 33.4
15 (CH) 67
16 (C) 61.7
17 (CH3) 28.6
18 (CH3) 14.9
19 (C) 178
20 (CH3) 10.7
19a (CH3) 51.1