2-Methyl-3-methoxy-5-[(S)-1beta,2,2-trimethylcyclopentyl]phenol

2-Methyl-3-methoxy-5-[(S)-1beta,2,2-trimethylcyclopentyl]phenol

Common Name: 2-Methyl-3-methoxy-5-[(S)-1beta,2,2-trimethylcyclopentyl]phenol

Synonyms: 2-Methyl-3-methoxy-5-[(S)-1beta,2,2-trimethylcyclopentyl]phenol

CAS Registry Number:

InChI: InChI=1S/C16H24O2/c1-11-13(17)9-12(10-14(11)18-5)16(4)8-6-7-15(16,2)3/h9-10,17H,6-8H2,1-5H3/t16-/m1/s1

InChIKey: InChIKey=ILUULDTXIRKIBX-MRXNPFEDSA-N

Formula: C16H24O2

Molecular Weight: 248.361162

Exact Mass: 248.17763

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Harinantenaina, L., Kurata, R., Asakawa, Y. Chem Pharm Bull (2005) 53, 515-8

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cuparanes; 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) 107.1
2 (C) 153.4
3 (C) 109
4 (C) 157.7
5 (CH) 102.5
6 (C) 146.6
7 (C) 50.5
8 (CH2) 36.7
9 (CH2) 19.5
10 (CH2) 38.7
11 (C) 44.1
12 (CH3) 26.5
13 (CH3) 24.2
14 (CH3) 24.4
15 (CH3) 7.7
4a (CH3) 55.6