7-Oxo-12-acetoxyabieta-8,11,13-triene-18-oic acid methyl ester

7-Oxo-12-acetoxyabieta-8,11,13-triene-18-oic acid methyl ester

Common Name: 7-Oxo-12-acetoxyabieta-8,11,13-triene-18-oic acid methyl ester

Synonyms: 7-Oxo-12-acetoxyabieta-8,11,13-triene-18-oic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C23H30O5/c1-13(2)15-10-16-17(11-19(15)28-14(3)24)22(4)8-7-9-23(5,21(26)27-6)20(22)12-18(16)25/h10-11,13,20H,7-9,12H2,1-6H3/t20-,22-,23-/m1/s1

InChIKey: InChIKey=DYWGHWWGHQMUBE-YMPZKCBVSA-N

Formula: C23H30O5

Molecular Weight: 386.482173

Exact Mass: 386.209324

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Alvarez-Manzaneda, E., Chahboun, R., Cabrera, E., Alvarez, E., Manzaneda, R.A.-., Lachkar, M., Messouri, I. Tetrahedron Lett (2007) 48, 989-92

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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
2 (CH2) 18.1
3 (CH2) 37.7
4 (C) 46.7
5 (CH) 43.6
6 (CH2) 36.4
7 (C) 197.4
8 (C) 138.7
9 (C) 152.7
10 (C) 37.4
11 (CH) 117.6
12 (C) 154.3
13 (C) 128.9
14 (CH) 126.6
15 (CH) 27.3
16 (CH3) 22.7
17 (CH3) 22.8
18 (C) 177.7
19 (CH3) 23.6
20 (CH3) 16.4
12a (C) 169.1
12b (CH3) 21
18a (CH3) 52.2