6β,7β-Carbonyldioxy-16-methoxy-14,15-dinor-labd-8-en-13-one

6β,7β-Carbonyldioxy-16-methoxy-14,15-dinor-labd-8-en-13-one

Common Name: 6β,7β-Carbonyldioxy-16-methoxy-14,15-dinor-labd-8-en-13-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O5/c1-12-14(8-7-13(21)11-23-5)20(4)10-6-9-19(2,3)17(20)16-15(12)24-18(22)25-16/h15-17H,6-11H2,1-5H3/t15-,16-,17+,20-/m1/s1

InChIKey: InChIKey=SKGJWXOFZWVKLN-PDOICOKGSA-N

Formula: C20H30O5

Molecular Weight: 350.449965

Exact Mass: 350.209324

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Marcos, I.S., Castaneda, L., Basabe, P., Diez, D., Urones, J.G. Tetrahedron (2008) 64, 10860-6

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) 38.9
2 (CH2) 18.8
3 (CH2) 42.7
4 (C) 34.2
5 (CH) 51.9
6 (CH) 75.1
7 (CH) 78.9
8 (C) 122
9 (C) 148.8
10 (C) 39.1
11 (CH2) 21.1
12 (CH2) 38.7
13 (C) 208.1
16 (CH2) 77.9
17 (CH3) 16.5
18 (CH3) 33
19 (CH3) 23.7
20 (CH3) 22.5
7a (C) 155.4
16a (CH3) 59.6