8β,13β-oxidoeperu-14-en-18-oic-acid

8β,13β-oxidoeperu-14-en-18-oic-acid

Common Name: 8β,13β-oxidoeperu-14-en-18-oic-acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O3/c1-6-17(2)12-8-15-18(3)10-7-11-19(4,16(21)22)14(18)9-13-20(15,5)23-17/h6,14-15H,1,7-13H2,2-5H3,(H,21,22)/t14-,15-,17-,18+,19-,20-/m0/s1

InChIKey: InChIKey=POQLUTMXUBSNEN-BEUOHLRXSA-N

Formula: C20H32O3

Molecular Weight: 320.467037

Exact Mass: 320.235145

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Li, W.W., Li, B.G., Chen, Y.Z. Phytochemistry (1998) 49, 2433-5

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) 38.9
2 (CH2) 18.1
3 (CH2) 35
4 (C) 47.5
5 (CH) 51.2
6 (CH2) 22.9
7 (CH2) 43.2
8 (C) 76
9 (CH) 58.8
10 (C) 36.3
11 (CH2) 16.1
12 (CH2) 36.3
13 (C) 73.4
14 (CH) 148.3
15 (CH2) 109.7
16 (CH3) 33
17 (CH3) 24.2
18 (C) 181
19 (CH3) 16.8
20 (CH3) 16.3