8(17),12E,14-Labdatrien-6,19 olide

8(17),12E,14-Labdatrien-6,19 olide

Common Name: 8(17),12E,14-Labdatrien-6,19 olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H28O2/c1-6-13(2)8-9-15-14(3)12-16-17-19(15,4)10-7-11-20(17,5)18(21)22-16/h6,8,15-17H,1,3,7,9-12H2,2,4-5H3/b13-8+/t15-,16+,17+,19+,20-/m0/s1

InChIKey: InChIKey=ZOWGCPFSPASCRH-PHTDPNITSA-N

Formula: C20H28O2

Molecular Weight: 300.435869

Exact Mass: 300.20893

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Roman, L.U., Cambron, J.I., del Rio, R.E., Hernandez, J.D., Cerda-Garcia-Rojas, C.M., Joseph-Nathan, P. J Nat Prod (2000) 63, 226-9

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) 35.79
2 (CH2) 20.37
3 (CH2) 43.37
4 (C) 28.78
5 (CH) 52.48
6 (CH) 76.75
7 (CH2) 35.48
8 (C) 144.04
9 (CH) 53.15
10 (C) 36.02
11 (CH2) 26.54
12 (CH) 132.87
13 (C) 134.68
14 (CH) 141.76
15 (CH2) 113.6
16 (CH3) 12.3
17 (CH2) 111.05
18 (CH3) 18.43
19 (C) 183.07
20 (CH3) 24.49