(1R)-4alpha,4aalpha-Dimethyl-6-acetyl-1,2,3,4,4a,5-hexahydronaphthalene-1alpha,7-diol diacetate

(1R)-4alpha,4aalpha-Dimethyl-6-acetyl-1,2,3,4,4a,5-hexahydronaphthalene-1alpha,7-diol diacetate

Common Name: (1R)-4alpha,4aalpha-Dimethyl-6-acetyl-1,2,3,4,4a,5-hexahydronaphthalene-1alpha,7-diol diacetate

Synonyms: (1R)-4alpha,4aalpha-Dimethyl-6-acetyl-1,2,3,4,4a,5-hexahydronaphthalene-1alpha,7-diol diacetate

CAS Registry Number:

InChI: InChI=1S/C18H24O5/c1-10-6-7-16(22-12(3)20)15-8-17(23-13(4)21)14(11(2)19)9-18(10,15)5/h8,10,16H,6-7,9H2,1-5H3/t10-,16+,18+/m0/s1

InChIKey: InChIKey=ODPRIRBIWSYBDF-FEMPBKKVSA-N

Formula: C18H24O5

Molecular Weight: 320.380849

Exact Mass: 320.162374

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Li, P.L., Jia, Z.J. Helv Chim Acta (2008) 91, 1717-27

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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 (CH) 72.4
2 (CH2) 29.9
3 (CH2) 25.6
4 (CH) 43.1
5 (C) 37.5
6 (CH2) 25.6
7 (C) 121.4
8 (C) 150.3
9 (CH) 125.1
10 (C) 151.4
11 (C) 196.7
13 (CH3) 31
14 (CH3) 17.1
15 (CH3) 16.1
1a (C) 170.1
1b (CH3) 21.7
8a (C) 168.5
8b (CH3) 21.4