(2R)-2beta-[(R)-1-Hydroxyethyl]-4,4,7aalpha-trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-6alpha-ol

(2R)-2beta-[(R)-1-Hydroxyethyl]-4,4,7aalpha-trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-6alpha-ol

Common Name: (2R)-2beta-[(R)-1-Hydroxyethyl]-4,4,7aalpha-trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-6alpha-ol

Synonyms: (2R)-2beta-[(R)-1-Hydroxyethyl]-4,4,7aalpha-trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-6alpha-ol

CAS Registry Number:

InChI: InChI=1S/C13H22O3/c1-8(14)10-5-11-12(2,3)6-9(15)7-13(11,4)16-10/h5,8-10,14-15H,6-7H2,1-4H3/t8-,9+,10-,13-/m1/s1

InChIKey: InChIKey=JZZFHGHGUGITAS-BSTOTGJRSA-N

Formula: C13H22O3

Molecular Weight: 226.312478

Exact Mass: 226.156895

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Marukami, T., Kishi, A., Yoshikawa, M. Chem Pharm Bull (2001) 49, 974-8

Species:

Notes: Family : Terpenoids, Type : Miscellanea, Group : Megastigmanes; 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) 33.8
2 (CH2) 46.7
3 (CH) 67.6
4 (CH2) 48
5 (C) 87.2
6 (C) 155.4
7 (CH) 117.4
8 (CH) 86.8
9 (CH) 70.9
10 (CH3) 18.8
11 (CH3) 31.4
12 (CH3) 28.5
13 (CH3) 28.7