ent-15-Oxokauran-19-oic acid

ent-15-Oxokauran-19-oic acid

Common Name: ent-15-Oxokauran-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O4/c1-17-8-4-9-18(2,16(22)23)13(17)7-10-20-11-12(5-6-14(17)20)19(3,24)15(20)21/h12-14,24H,4-11H2,1-3H3,(H,22,23)/t12-,13+,14+,17-,18-,19+,20-/m1/s1

InChIKey: InChIKey=QJAVHLGJVFGLBK-DMYPDZNZSA-N

Formula: C20H30O4

Molecular Weight: 334.45056

Exact Mass: 334.214409

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) 40.1
2 (CH2) 18.7
3 (CH2) 37.6
4 (C) 43.7
5 (CH) 56
6 (CH2) 20.1
7 (CH2) 34
8 (C) 52.4
9 (CH) 52
10 (C) 39.7
11 (CH2) 18.4
12 (CH2) 27.1
13 (CH) 41.3
14 (CH2) 34.4
15 (C) 222.1
16 (C) 77.3
17 (CH3) 18.3
18 (CH3) 28.9
19 (C) 183.8
20 (CH3) 15.4