(1R,4abeta)-1alpha-(2,3,5,6-Tetramethoxybenzyl)-2-methylene-5,5,8aalpha-trimethyldecahydronaphthalene

(1R,4abeta)-1alpha-(2,3,5,6-Tetramethoxybenzyl)-2-methylene-5,5,8aalpha-trimethyldecahydronaphthalene

Common Name: (1R,4abeta)-1alpha-(2,3,5,6-Tetramethoxybenzyl)-2-methylene-5,5,8aalpha-trimethyldecahydronaphthalene

Synonyms: (1R,4abeta)-1alpha-(2,3,5,6-Tetramethoxybenzyl)-2-methylene-5,5,8aalpha-trimethyldecahydronaphthalene

CAS Registry Number:

InChI: InChI=1S/C25H38O4/c1-16-10-11-21-24(2,3)12-9-13-25(21,4)18(16)14-17-22(28-7)19(26-5)15-20(27-6)23(17)29-8/h15,18,21H,1,9-14H2,2-8H3/t18-,21-,25+/m1/s1

InChIKey: InChIKey=CRRHMJXTFMFJMN-JYMRHQFYSA-N

Formula: C25H38O4

Molecular Weight: 402.567766

Exact Mass: 402.27701

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Bernet, A., Schroder, J., Seifert, K. Helv Chim Acta (2003) 86, 2009-20

Species:

Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Drimanes; 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) 38.5
2 (CH2) 19.6
3 (CH2) 42.2
4 (C) 33.6
5 (CH) 55.5
6 (CH2) 24.5
7 (CH2) 38.5
8 (C) 148.8
9 (CH) 55.7
10 (C) 40.1
11 (CH2) 20.1
12 (CH2) 106.9
13 (CH3) 33.6
14 (CH3) 21.7
15 (CH3) 14.1
1' (C) 130.6
2' (C) 141.2
3' (C) 148.7
4' (CH) 96.3
5' (C) 148.7
6' (C) 141.2
2'a (CH3) 60.7
3'a (CH3) 56
5'a (CH3) 56
6'a (CH3) 60.7