ent-16bH,17-isovalerate-kauran-19-oic acid

ent-16bH,17-isovalerate-kauran-19-oic acid

Common Name: ent-16bH,17-isovalerate-kauran-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H42O4/c1-17(2)13-22(27)30-16-19-15-26-12-9-20-24(3,21(26)8-7-18(19)14-26)10-6-11-25(20,4)23(28)29-5/h17-21H,6-16H2,1-5H3/t18-,19-,20+,21+,24-,25-,26+/m1/s1

InChIKey: InChIKey=ZLILKRUXQRGZOL-DOPPSKPISA-N

Formula: C26H42O4

Molecular Weight: 418.610265

Exact Mass: 418.30831

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kim, Y.H., Kim, H.S., Lee, S.W., Uramoto, M., Lee, J.J. Phytochemistry (1995) 39, 449-51

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) 40.8
2 (CH2) 19.1
3 (CH2) 38.1
4 (C) 43.7
5 (CH) 57
6 (CH2) 22.6
7 (CH2) 41.6
8 (C) 44.9
9 (CH) 55.3
10 (C) 39.5
11 (CH2) 18.7
12 (CH2) 31.2
13 (CH) 39.5
14 (CH2) 37.1
15 (CH2) 45
16 (CH) 39.4
17 (CH2) 68.3
18 (CH3) 28.7
19 (C) 178
20 (CH3) 15.3
17a (C) 173.2
17b (CH2) 45.5
17c (CH) 25.7
17d (CH3) 22.4
17ca (CH3) 22.4
19a (CH3) 51