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

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

Common Name: (rel 5S,8R,9R,10S,13S,15S,16R)-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-KJHUPWGBSA-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) 31.4
2 (CH2) 19.1
3 (CH2) 41.9
4 (C) 33.5
5 (CH) 46.7
6 (CH2) 21.7
7 (CH2) 31
8 (CH) 36.6
9 (C) 93.7
10 (C) 42.4
11 (CH2) 29.5
12 (CH2) 37.6
13 (C) 89.3
14 (CH2) 41.7
15 (CH) 103.6
16 (CH) 105.6
17 (CH3) 17.4
18 (CH3) 33.1
19 (CH3) 22
20 (CH3) 17.1
15a (CH3) 55.3
16a (CH3) 54.6