5α,7α,10βH-3-Patchoulen-2-one

5α,7α,10βH-3-Patchoulen-2-one

Common Name: 5α,7α,10βH-3-Patchoulen-2-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H22O/c1-9-7-13(16)15-10(2)5-6-11(8-12(9)15)14(15,3)4/h7,10-12H,5-6,8H2,1-4H3/t10-,11-,12+,15+/m1/s1

InChIKey: InChIKey=BSDFKVHDDFHAFR-FJJYHAOUSA-N

Formula: C15H22O1

Molecular Weight: 218.33514

Exact Mass: 218.167065

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Aguilar-Guadarrama, A.B., Rios, M.Y. J Nat Prod (2004) 67, 914-7

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Patchoulanes; 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) 65.6
2 (C) 203.8
3 (CH) 125.6
4 (C) 165.3
5 (CH) 59.1
6 (CH2) 44.8
7 (CH) 58.3
8 (CH2) 26.7
9 (CH2) 39.7
10 (CH) 44
11 (C) 42.5
12 (CH3) 28
13 (CH3) 27.1
14 (CH3) 25.5
15 (CH3) 15.3