(13E)-15-Acetoxylabda-8,13-dien-19-oic acid

(13E)-15-Acetoxylabda-8,13-dien-19-oic acid

Common Name: (13E)-15-Acetoxylabda-8,13-dien-19-oic acid

Synonyms: (13E)-15-Acetoxylabda-8,13-dien-19-oic acid

CAS Registry Number:

InChI: InChI=1S/C22H34O4/c1-15(11-14-26-17(3)23)7-9-18-16(2)8-10-19-21(18,4)12-6-13-22(19,5)20(24)25/h11,19H,6-10,12-14H2,1-5H3,(H,24,25)/b15-11+/t19-,21-,22+/m1/s1

InChIKey: InChIKey=VYHQRVHVJIOYAH-SIXDBYLKSA-N

Formula: C22H34O4

Molecular Weight: 362.503795

Exact Mass: 362.24571

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) 37.5
2 (CH2) 19.5
3 (CH2) 37.2
4 (C) 43.7
5 (CH) 53.5
6 (CH2) 20.7
7 (CH2) 34.3
8 (C) 127.1
9 (C) 138.7
10 (C) 39.8
11 (CH2) 26.8
12 (CH2) 40.1
13 (C) 143
14 (CH) 117.7
15 (CH2) 61.4
16 (CH3) 16.5
17 (CH3) 19.7
18 (CH3) 28.6
19 (C) 182.8
20 (CH3) 18
15a (C) 171.2
15b (CH3) 21