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

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

Common Name: (rel 5S,6R,8R,9R,10S,13S)-6-Acetoxy-9,13-epoxy-15-methoxy-labdan-16,15-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(26-6)28-19(22)25/h14,16-18H,7-13H2,1-6H3/t14-,16-,17?,18+,21+,22+,23-/m1/s1

InChIKey: InChIKey=MBAXCJZDNOCWCW-VCLCFZOBSA-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) 33.7
2 (CH2) 18.7
3 (CH2) 43.9
4 (C) 34.1
5 (CH) 48.7
6 (CH) 70.6
7 (CH2) 36.8
8 (CH) 31.2
9 (C) 95.4
10 (C) 43.3
11 (CH2) 29.5
12 (CH2) 35.8
13 (C) 84.5
14 (CH2) 43.9
15 (CH) 102.5
16 (C) 176.3
17 (CH3) 17.5
18 (CH3) 33.2
19 (CH3) 23.9
20 (CH3) 20.4
6a (C) 170.6
6b (CH3) 22
15a (CH3) 57.2