Methyl 6β,7β-carbonildioxi-labda-8,13E-dien-15-oate

Methyl 6β,7β-carbonildioxi-labda-8,13E-dien-15-oate

Common Name: Methyl 6β,7β-carbonildioxi-labda-8,13E-dien-15-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H32O5/c1-13(12-16(23)25-6)8-9-15-14(2)17-18(27-20(24)26-17)19-21(3,4)10-7-11-22(15,19)5/h12,17-19H,7-11H2,1-6H3/b13-12+/t17-,18-,19+,22-/m1/s1

InChIKey: InChIKey=OWTPDLWONWAPKF-GGNJTGSFSA-N

Formula: C22H32O5

Molecular Weight: 376.487318

Exact Mass: 376.224974

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Marcos, I.S., Castaneda, L., Basabe, P., Diez, D., Urones, J.G. Tetrahedron (2008) 64, 8815-29

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) 38.6
2 (CH2) 18.8
3 (CH2) 42.7
4 (C) 34.2
5 (CH) 51.8
6 (CH) 75.1
7 (CH) 78.8
8 (C) 121.9
9 (C) 148.5
10 (C) 39.1
11 (CH2) 26.5
12 (CH2) 40.6
13 (C) 159.4
14 (CH) 115.4
15 (C) 167.3
16 (CH3) 19
17 (CH3) 16.4
18 (CH3) 32.9
19 (CH3) 23.7
20 (CH3) 22.6
7a (C) 155.3
15a (CH3) 51.1