ent-15-Oxokauran-19-oate

ent-15-Oxokauran-19-oate

Common Name: ent-15-Oxokauran-19-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H32O4/c1-18-9-5-10-19(2,17(23)25-4)14(18)8-11-21-12-13(6-7-15(18)21)20(3,24)16(21)22/h13-15,24H,5-12H2,1-4H3/t13-,14+,15+,18-,19-,20+,21-/m1/s1

InChIKey: InChIKey=NSUAASNAJRVYFT-SXVZKGOTSA-N

Formula: C21H32O4

Molecular Weight: 348.477178

Exact Mass: 348.23006

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Deoliveira, A.B., Hanson, J.R., Takahashi, J.A. Phytochemistry (1995) 40, 439.42

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) 39.9
2 (CH2) 18.8
3 (CH2) 37.9
4 (C) 43.8
5 (CH) 56.1
6 (CH2) 20.3
7 (CH2) 34
8 (C) 52.4
9 (CH) 52
10 (C) 39.8
11 (CH2) 18.4
12 (CH2) 27.2
13 (CH) 41.3
14 (CH2) 34.5
15 (C) 221.4
16 (C) 77.3
17 (CH3) 18.3
18 (CH3) 28.7
19 (C) 177.8
20 (CH3) 15.2
19a (CH3) 51.2