2-[(R)-1-Isopropyl-4-oxopentyl]-4-hydroxy-4-methyl-2-cyclohexene-1-one

2-[(R)-1-Isopropyl-4-oxopentyl]-4-hydroxy-4-methyl-2-cyclohexene-1-one

Common Name: 2-[(R)-1-Isopropyl-4-oxopentyl]-4-hydroxy-4-methyl-2-cyclohexene-1-one

Synonyms: 2-[(R)-1-Isopropyl-4-oxopentyl]-4-hydroxy-4-methyl-2-cyclohexene-1-one

CAS Registry Number:

InChI: InChI=1S/C15H24O3/c1-10(2)12(6-5-11(3)16)13-9-15(4,18)8-7-14(13)17/h9-10,12,18H,5-8H2,1-4H3/t12-,15?/m1/s1

InChIKey: InChIKey=ZOEYQETWCHEROV-KEKZHRQWSA-N

Formula: C15H24O3

Molecular Weight: 252.349831

Exact Mass: 252.172545

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ngo, K.S., Wong, W.T., Brown, G.D. J Nat Prod (1999) 62, 549-53

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 (C) 199
2 (CH2) 35.3
3 (CH2) 37.1
4 (C) 68.8
5 (CH) 149.7
6 (C) 139.5
7 (CH) 42
8 (CH2) 24.8
9 (CH2) 42
10 (C) 209
11 (CH) 31.9
12 (CH3) 20.5
13 (CH3) 20.2
14 (CH3) 27.7
15 (CH3) 29.9