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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C19H28O5/c1-11-13(7-6-12(21)10-20)19(4)9-5-8-18(2,3)16(19)15-14(11)23-17(22)24-15/h14-16,20H,5-10H2,1-4H3/t14-,15-,16+,19-/m1/s1

InChIKey: InChIKey=LEEUXMGXOCGVDK-OAFZBRQQSA-N

Formula: C19H28O5

Molecular Weight: 336.423348

Exact Mass: 336.193674

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) 38.8
2 (CH2) 18.8
3 (CH2) 42.7
4 (C) 34.2
5 (CH) 51.9
6 (CH) 75
7 (CH) 78.8
8 (C) 122.4
9 (C) 148.3
10 (C) 39.2
11 (CH2) 21.3
12 (CH2) 38.3
13 (C) 208.6
16 (CH2) 68.2
17 (CH3) 16.5
18 (CH3) 33
19 (CH3) 23.7
20 (CH3) 22.6
7a (C) 155.3