3b-Acetoxy-ent-labd-8(17)-en-15-oic acid

3b-Acetoxy-ent-labd-8(17)-en-15-oic acid

Common Name: 3b-Acetoxy-ent-labd-8(17)-en-15-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H36O4/c1-14(13-20(24)25)7-9-17-15(2)8-10-18-21(4,5)19(26-16(3)23)11-12-22(17,18)6/h14,17-19H,2,7-13H2,1,3-6H3,(H,24,25)/t14?,17-,18-,19+,22+/m1/s1

InChIKey: InChIKey=IAMPTQYXEGSJPK-LRHWGCDKSA-N

Formula: C22H36O4

Molecular Weight: 364.519677

Exact Mass: 364.26136

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Faini, F., Labbe, C., Torres, R., Delle Monache, F., Delle Monache, G. Phytochemistry (1999) 52, 1547-50

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
2 (CH2) 24.3
3 (CH) 80.8
4 (C) 39.3
5 (CH) 54.7
6 (CH2) 23.8
7 (CH2) 38
8 (C) 147.8
9 (CH) 56.7
10 (C) 36.7
11 (CH2) 21.1
12 (CH2) 35.7
13 (CH) 30.9
14 (CH2) 41.1
15 (C) 178.7
16 (CH3) 19.9
17 (CH2) 106.8
18 (CH3) 28.2
19 (CH3) 16.5
20 (CH3) 14.5
3a (C) 171
3b (CH3) 21.3