8,13-Dioxo-14,15,20-trinorlabdan-19-oic acid methyl ester

8,13-Dioxo-14,15,20-trinorlabdan-19-oic acid methyl ester

Common Name: 8,13-Dioxo-14,15,20-trinorlabdan-19-oic acid methyl ester

Synonyms: 8,13-Dioxo-14,15,20-trinorlabdan-19-oic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C18H28O4/c1-12(19)6-7-13-14(20)8-9-15-17(13,2)10-5-11-18(15,3)16(21)22-4/h13,15H,5-11H2,1-4H3/t13-,15+,17+,18-/m0/s1

InChIKey: InChIKey=IWIIQYVZJYEOMM-NZPGVSJUSA-N

Formula: C18H28O4

Molecular Weight: 308.413207

Exact Mass: 308.198759

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Alvarez-Manzaneda Roldan, E., Romera Santiago, J.L., Chahboun, R. J Nat Prod (2006) 69, 563-6

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) 39.4
2 (CH2) 19.8
3 (CH2) 38
4 (C) 43.7
5 (CH) 54.9
6 (CH2) 25.7
7 (CH2) 43.1
8 (C) 211.9
9 (CH) 62.2
10 (C) 44.4
11 (CH2) 16.4
12 (CH2) 42.7
13 (C) 209.3
14 (CH3) 29.3
18 (CH3) 28.9
19 (C) 177.2
20 (CH3) 13.1
19a (CH3) 51.4