3-[[(1R,4abeta)-2-Methylene-5,5,8aalpha-trimethyldecahydronaphthalene-1alpha-yl]methyl]-4,5-dimethoxy-1,2-benzoquinone

3-[[(1R,4abeta)-2-Methylene-5,5,8aalpha-trimethyldecahydronaphthalene-1alpha-yl]methyl]-4,5-dimethoxy-1,2-benzoquinone

Common Name: 3-[[(1R,4abeta)-2-Methylene-5,5,8aalpha-trimethyldecahydronaphthalene-1alpha-yl]methyl]-4,5-dimethoxy-1,2-benzoquinone

Synonyms: 3-[[(1R,4abeta)-2-Methylene-5,5,8aalpha-trimethyldecahydronaphthalene-1alpha-yl]methyl]-4,5-dimethoxy-1,2-benzoquinone

CAS Registry Number:

InChI: InChI=1S/C23H32O4/c1-14-8-9-19-22(2,3)10-7-11-23(19,4)16(14)12-15-20(25)17(24)13-18(26-5)21(15)27-6/h13,16,19H,1,7-12H2,2-6H3/t16-,19-,23+/m1/s1

InChIKey: InChIKey=JTMQPUGLVHDEHM-HFXUHXBXSA-N

Formula: C23H32O4

Molecular Weight: 372.498649

Exact Mass: 372.23006

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) 38.7
2 (CH2) 19.4
3 (CH2) 42.1
4 (C) 33.6
5 (CH) 55.5
6 (CH2) 24.4
7 (CH2) 38.3
8 (C) 148.6
9 (CH) 54.7
10 (C) 40.1
11 (CH2) 19.5
12 (CH2) 106.9
13 (CH3) 33.5
14 (CH3) 21.6
15 (CH3) 14.1
1' (C) 131.4
2' (C) 178.8
3' (C) 181
4' (CH) 101.3
5' (C) 166.3
6' (C) 158.8
5'a (CH3) 56.7
6'a (CH3) 61.8