(4aR)-3-Methyl-5alpha-isopropyl-8-methylene-4aalpha,5,6,7,8,8aalpha-hexahydronaphthalene-2(1H)-one

(4aR)-3-Methyl-5alpha-isopropyl-8-methylene-4aalpha,5,6,7,8,8aalpha-hexahydronaphthalene-2(1H)-one

Common Name: (4aR)-3-Methyl-5alpha-isopropyl-8-methylene-4aalpha,5,6,7,8,8aalpha-hexahydronaphthalene-2(1H)-one

Synonyms: (4aR)-3-Methyl-5alpha-isopropyl-8-methylene-4aalpha,5,6,7,8,8aalpha-hexahydronaphthalene-2(1H)-one

CAS Registry Number:

InChI: InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h7,9,12-14H,3,5-6,8H2,1-2,4H3/t12-,13+,14-/m0/s1

InChIKey: InChIKey=QUTSKAAVYUOEQA-MJBXVCDLSA-N

Formula: C15H22O1

Molecular Weight: 218.33514

Exact Mass: 218.167065

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kuo, Y.H., Chen, C.H., Chien, S.C., Lin, Y.L. J Nat Prod (2002) 65, 25-8

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Muurolanes; 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) 43
2 (CH2) 40.1
3 (C) 199.5
4 (C) 134.9
5 (CH) 149.7
6 (CH) 40.7
7 (CH) 43.8
8 (CH2) 25.4
9 (CH2) 30.5
10 (C) 149.2
11 (CH) 27.5
12 (CH3) 16.3
13 (CH3) 21.4
14 (CH3) 16
15 (CH2) 109