(rel 5S,8R,9R,10S,13S,15R,16S)-9,13;15,16-Diepoxy-15,16-dimethoxylabdane

(rel 5S,8R,9R,10S,13S,15R,16S)-9,13;15,16-Diepoxy-15,16-dimethoxylabdane

Common Name: (rel 5S,8R,9R,10S,13S,15R,16S)-9,13;15,16-Diepoxy-15,16-dimethoxylabdane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H38O4/c1-15-8-9-16-19(2,3)10-7-11-20(16,4)22(15)13-12-21(26-22)14-17(23-5)25-18(21)24-6/h15-18H,7-14H2,1-6H3/t15-,16+,17-,18+,20+,21+,22-/m1/s1

InChIKey: InChIKey=DDLXKCMOPRPBNK-DNNXKHSDSA-N

Formula: C22H38O4

Molecular Weight: 366.535558

Exact Mass: 366.27701

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) 32.9
2 (CH2) 18.9
3 (CH2) 42
4 (C) 33.5
5 (CH) 46.8
6 (CH2) 21.9
7 (CH2) 31.4
8 (CH) 36.1
9 (C) 93.7
10 (C) 42.6
11 (CH2) 29.7
12 (CH2) 31.7
13 (C) 92.2
14 (CH2) 44.6
15 (CH) 105.4
16 (CH) 108.8
17 (CH3) 18.2
18 (CH3) 33.3
19 (CH3) 22
20 (CH3) 17.5
15a (CH3) 55.6
16a (CH3) 55.2