5-Isopropyl-3-methyl-2,4,7-trimethoxy-8,1-naphthalene Carbolactone

5-Isopropyl-3-methyl-2,4,7-trimethoxy-8,1-naphthalene Carbolactone

Common Name: 5-Isopropyl-3-methyl-2,4,7-trimethoxy-8,1-naphthalene Carbolactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C18H20O5/c1-8(2)10-7-11(20-4)13-14-12(10)15(21-5)9(3)16(22-6)17(14)23-18(13)19/h7-8H,1-6H3

InChIKey: InChIKey=DRCIWMAHWABTKN-UHFFFAOYSA-N

Formula: C18H20O5

Molecular Weight: 316.349086

Exact Mass: 316.131074

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Vijaya Bhaskar Reddy, M., Kesava Reddy, M., Gunasekar, D., Marthanda Murthy, M., Caux, C., Bodo, B. Chem Pharm Bull (2003) 51, 458-9

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadalenes; 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 (C) 131.2
2 (C) 131.5
3 (C) 139.1
4 (C) 121.1
5 (C) 151.4
6 (C) 112.3
7 (C) 157.7
8 (CH) 111.1
9 (C) 158.9
10 (C) 99.6
11 (CH) 29.1
12 (CH3) 24.3
13 (CH3) 24.1
14 (CH3) 10.7
15 (C) 164
3a (CH3) 61.5
5a (CH3) 59.7
9a (CH3) 57