(4S)-3,8-Dimethyl-4beta-acetoxy-5alpha-isopropyl 1,4,4aalpha,5,6,7-hexahydronaphthalene-1,7-dione

(4S)-3,8-Dimethyl-4beta-acetoxy-5alpha-isopropyl 1,4,4aalpha,5,6,7-hexahydronaphthalene-1,7-dione

Common Name: (4S)-3,8-Dimethyl-4beta-acetoxy-5alpha-isopropyl 1,4,4aalpha,5,6,7-hexahydronaphthalene-1,7-dione

Synonyms: (4S)-3,8-Dimethyl-4beta-acetoxy-5alpha-isopropyl 1,4,4aalpha,5,6,7-hexahydronaphthalene-1,7-dione

CAS Registry Number:

InChI: InChI=1S/C17H22O4/c1-8(2)12-7-13(19)10(4)15-14(20)6-9(3)17(16(12)15)21-11(5)18/h6,8,12,16-17H,7H2,1-5H3/t12-,16-,17+/m0/s1

InChIKey: InChIKey=IMPYLWTUBJWLNC-AFAVFJNCSA-N

Formula: C17H22O4

Molecular Weight: 290.354827

Exact Mass: 290.151809

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Sadhu, S.K., Tamaki, M., Ohtsuki, T., Toume, K., Koyano, T., Kowithayakorn, T., Ishibashi, M. J Nat Prod (2009) 72, 782-3

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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) 140.4
2 (C) 190.1
3 (CH) 131.5
4 (C) 154.7
5 (CH) 68.4
6 (CH) 43.6
7 (CH) 39.7
8 (CH2) 36.1
9 (C) 200.8
10 (C) 141.6
11 (CH) 27.5
12 (CH3) 21
13 (CH3) 16.4
14 (CH3) 22
15 (CH3) 13.2
16 (C) 170.6
17 (CH3) 20.8