7β-Acetoxy-9α,16-dihydroxy-6-oxo-labd-13-en-16,15-olide

7β-Acetoxy-9α,16-dihydroxy-6-oxo-labd-13-en-16,15-olide

Common Name: 7β-Acetoxy-9α,16-dihydroxy-6-oxo-labd-13-en-16,15-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H32O7/c1-12-17(28-13(2)23)16(25)18-20(3,4)8-6-9-21(18,5)22(12,27)10-7-14-11-15(24)29-19(14)26/h11-12,17-19,26-27H,6-10H2,1-5H3/t12-,17-,18+,19?,21+,22-/m1/s1

InChIKey: InChIKey=ODAORJGJPUTFRI-LLNVPMAFSA-N

Formula: C22H32O7

Molecular Weight: 408.486128

Exact Mass: 408.214803

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) 31.8
2 (CH2) 18.3
3 (CH2) 42.3
4 (C) 32.6
5 (CH) 56.4
6 (C) 204.9
7 (CH) 79.4
8 (CH) 47.6
9 (C) 77.3
10 (C) 48.7
11 (CH2) 31.1
12 (CH2) 24.4
13 (C) 169.3
14 (CH) 117.8
15 (C) 171.3
16 (CH) 99.2
17 (CH3) 12.4
18 (CH3) 32.8
19 (CH3) 22.4
20 (CH3) 18.2
7a (C) 170.9
7b (CH3) 21