7-[[(1R)-2alpha,4aalpha,5beta,8aalpha-Tetramethyl-3alpha-hydroxy-6-oxodecalin-1alpha-yl]methoxy]coumarin

7-[[(1R)-2alpha,4aalpha,5beta,8aalpha-Tetramethyl-3alpha-hydroxy-6-oxodecalin-1alpha-yl]methoxy]coumarin

Common Name: 7-[[(1R)-2alpha,4aalpha,5beta,8aalpha-Tetramethyl-3alpha-hydroxy-6-oxodecalin-1alpha-yl]methoxy]coumarin

Synonyms: 7-[[(1R)-2alpha,4aalpha,5beta,8aalpha-Tetramethyl-3alpha-hydroxy-6-oxodecalin-1alpha-yl]methoxy]coumarin

CAS Registry Number:

InChI: InChI=1S/C24H30O5/c1-14-18(13-28-17-7-5-16-6-8-22(27)29-21(16)11-17)23(3)10-9-19(25)15(2)24(23,4)12-20(14)26/h5-8,11,14-15,18,20,26H,9-10,12-13H2,1-4H3/t14-,15-,18+,20+,23-,24-/m0/s1

InChIKey: InChIKey=OFOSZWHCKXZUKF-IOAHLMNPSA-N

Formula: C24H30O5

Molecular Weight: 398.492909

Exact Mass: 398.209324

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ahmed, A.A. Phytochemistry (1999) 50, 109-12

Species:

Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Miscellanea; 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) 33.2
2 (CH2) 37.9
3 (C) 214.1
4 (CH) 48.4
5 (C) 44.9
6 (CH2) 37.7
7 (CH) 72.1
8 (CH) 34.3
9 (CH) 37.7
10 (C) 40.2
11 (CH2) 67.9
12 (CH3) 19
13 (CH3) 18.2
14 (CH3) 8.8
15 (CH3) 16.4
2' (C) 162.7
3' (CH) 112.9
4' (CH) 143.3
5' (CH) 128.8
6' (CH) 113
7' (C) 161.9
8' (CH) 101.3
9' (C) 156.4
10' (C) 112.8