6β,7β-Carbonyldioxy-8α,9α-epoxy-labd-13-en-16,15-olide

6β,7β-Carbonyldioxy-8α,9α-epoxy-labd-13-en-16,15-olide

Common Name: 6β,7β-Carbonyldioxy-8α,9α-epoxy-labd-13-en-16,15-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H28O6/c1-18(2)7-5-8-19(3)15(18)14-16(26-17(23)25-14)20(4)21(19,27-20)9-6-12-10-13(22)24-11-12/h10,14-16H,5-9,11H2,1-4H3/t14-,15-,16-,19-,20+,21-/m0/s1

InChIKey: InChIKey=WYPJQVLXWRLBHM-UMNALJOJSA-N

Formula: C21H28O6

Molecular Weight: 376.444225

Exact Mass: 376.188589

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) 36.8
2 (CH2) 18.3
3 (CH2) 42.8
4 (C) 34
5 (CH) 42.9
6 (CH) 74.4
7 (CH) 75.8
8 (C) 60.8
9 (C) 70.6
10 (C) 37.8
11 (CH2) 23.5
12 (CH2) 25.5
13 (C) 169.3
14 (CH) 115.7
15 (C) 173.9
16 (CH2) 73.2
17 (CH3) 17.3
18 (CH3) 33.1
19 (CH3) 24
20 (CH3) 20.1
7a (C) 154.2