(rel 5S,6R,8R,9R,10S,13R,16S)-6-Acetoxy-9,13-epoxy-16-methoxylabdan-15,16-olide

(rel 5S,6R,8R,9R,10S,13R,16S)-6-Acetoxy-9,13-epoxy-16-methoxylabdan-15,16-olide

Common Name: (rel 5S,6R,8R,9R,10S,13R,16S)-6-Acetoxy-9,13-epoxy-16-methoxylabdan-15,16-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H36O6/c1-14-12-16(27-15(2)24)18-20(3,4)8-7-9-21(18,5)23(14)11-10-22(29-23)13-17(25)28-19(22)26-6/h14,16,18-19H,7-13H2,1-6H3/t14-,16-,18+,19-,21+,22?,23-/m1/s1

InChIKey: InChIKey=SFOHMBBFSBTGGN-JRBOFYKASA-N

Formula: C23H36O6

Molecular Weight: 408.529222

Exact Mass: 408.251189

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ono, M., Yamamoto, M., Yanaka, T., Ito, Y., Nohara, T. Chem Pharm Bull (2001) 49, 82-6

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) 34.5
2 (CH2) 18.7
3 (CH2) 43.9
4 (C) 34.2
5 (CH) 48.8
6 (CH) 70.5
7 (CH2) 36.4
8 (CH) 31.5
9 (C) 94.9
10 (C) 42.8
11 (CH2) 29.1
12 (CH2) 31.7
13 (C) 88.3
14 (CH2) 41.3
15 (C) 174.4
16 (CH) 110.4
17 (CH3) 17.5
18 (CH3) 33.1
19 (CH3) 23.8
20 (CH3) 19.9
6a (C) 170.5
6b (CH3) 21.9
16a (CH3) 57.2