ent-16bH,17-methyl butanoate-kauran-19-oic acid

ent-16bH,17-methyl butanoate-kauran-19-oic acid

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H40O4/c1-5-16(2)21(26)29-15-18-14-25-12-9-19-23(3,20(25)8-7-17(18)13-25)10-6-11-24(19,4)22(27)28/h16-20H,5-15H2,1-4H3,(H,27,28)/t16?,17-,18-,19+,20+,23-,24-,25+/m1/s1

InChIKey: InChIKey=WQGWMYWCOPPFGP-DZFWQXRMSA-N

Formula: C25H40O4

Molecular Weight: 404.583647

Exact Mass: 404.29266

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) 40.7
2 (CH2) 19.1
3 (CH2) 37.8
4 (C) 43.7
5 (CH) 57
6 (CH2) 22.4
7 (CH2) 41.2
8 (C) 44.9
9 (CH) 55.3
10 (C) 39.6
11 (CH2) 18.8
12 (CH2) 31.2
13 (CH) 38.6
14 (CH2) 37.1
15 (CH2) 45
16 (CH) 39.6
17 (CH2) 68.3
18 (CH3) 29
19 (C) 184.4
20 (CH3) 15.5
17a (C) 177
17b (CH) 41.2
17c (CH2) 26.8
17d (CH3) 11.7
17ba (CH3) 16.7