15-(2-Oxopropylidene)labd-8(17)-en-19-oic acid

15-(2-Oxopropylidene)labd-8(17)-en-19-oic acid

Common Name: 15-(2-Oxopropylidene)labd-8(17)-en-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H36O3/c1-16(8-6-9-18(3)24)10-12-19-17(2)11-13-20-22(19,4)14-7-15-23(20,5)21(25)26/h6,9,16,19-20H,2,7-8,10-15H2,1,3-5H3,(H,25,26)/b9-6+/t16-,19-,20-,22+,23-/m0/s1

InChIKey: InChIKey=KNRXBOCDMJMJJX-FIEMXLQJSA-N

Formula: C23H36O3

Molecular Weight: 360.531008

Exact Mass: 360.266445

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Su, W.C., Fang, J.M., Cheng, Y.S. Phytochemistry (1994) 37, 1109-14

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 39.1
2 (CH2) 19.9
3 (CH2) 37.9
4 (C) 44.1
5 (CH) 56.5
6 (CH2) 26
7 (CH2) 38.7
8 (C) 148.2
9 (CH) 56.3
10 (C) 40.5
11 (CH2) 21.2
12 (CH2) 35.9
13 (CH) 33.3
14 (CH2) 39.6
15 (CH) 147.5
16 (CH3) 19.8
17 (CH2) 106.3
18 (CH3) 29
19 (C) 183.6
20 (CH3) 12.7
15a (CH) 132.4
15b (C) 198.7
15c (CH3) 26.8