(1S,4aalpha)-5alpha-[2-(3-Furyl)ethyl]-5,6beta,8abeta-trimethyldecahydronaphthalene-1beta-methanol

(1S,4aalpha)-5alpha-[2-(3-Furyl)ethyl]-5,6beta,8abeta-trimethyldecahydronaphthalene-1beta-methanol

Common Name: (1S,4aalpha)-5alpha-[2-(3-Furyl)ethyl]-5,6beta,8abeta-trimethyldecahydronaphthalene-1beta-methanol

Synonyms: (1S,4aalpha)-5alpha-[2-(3-Furyl)ethyl]-5,6beta,8abeta-trimethyldecahydronaphthalene-1beta-methanol

CAS Registry Number:

InChI: InChI=1S/C20H32O2/c1-15-7-10-20(3)17(13-21)5-4-6-18(20)19(15,2)11-8-16-9-12-22-14-16/h9,12,14-15,17-18,21H,4-8,10-11,13H2,1-3H3/t15-,17+,18-,19+,20+/m0/s1

InChIKey: InChIKey=IVAHKKWFFZKHSQ-ABHMUUKNSA-N

Formula: C20H32O2

Molecular Weight: 304.467632

Exact Mass: 304.24023

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Costa, M., Perles, E.C., Fujiwara, F.Y., Imamura, P.M. Phytochemistry (2000) 53, 851-4

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH2) 21.5
2 (CH2) 26.9
3 (CH2) 25.4
4 (CH) 54.4
5 (C) 37
6 (CH2) 39.5
7 (CH2) 27.3
8 (CH) 36.5
9 (C) 38.9
10 (CH) 49.7
11 (CH2) 38.5
12 (CH2) 18.1
13 (C) 125.9
14 (CH) 111.2
15 (CH) 142.9
16 (CH) 138.6
17 (CH3) 16.1
18 (CH2) 63.6
19 (CH3) 15.2
20 (CH3) 18.1