(4aS)-5alpha-[2-(3-Furyl)ethyl]-5,6beta,8abeta-trimethyl-3,4,4aalpha,5,6,7,8,8a-octahydronaphthalene-1-methanol acetate

(4aS)-5alpha-[2-(3-Furyl)ethyl]-5,6beta,8abeta-trimethyl-3,4,4aalpha,5,6,7,8,8a-octahydronaphthalene-1-methanol acetate

Common Name: (4aS)-5alpha-[2-(3-Furyl)ethyl]-5,6beta,8abeta-trimethyl-3,4,4aalpha,5,6,7,8,8a-octahydronaphthalene-1-methanol acetate

Synonyms: (4aS)-5alpha-[2-(3-Furyl)ethyl]-5,6beta,8abeta-trimethyl-3,4,4aalpha,5,6,7,8,8a-octahydronaphthalene-1-methanol acetate

CAS Registry Number:

InChI: InChI=1S/C22H32O3/c1-16-8-11-22(4)19(15-25-17(2)23)6-5-7-20(22)21(16,3)12-9-18-10-13-24-14-18/h6,10,13-14,16,20H,5,7-9,11-12,15H2,1-4H3/t16-,20-,21+,22+/m0/s1

InChIKey: InChIKey=ZLSUFAROARWHAD-FBEWHJACSA-N

Formula: C22H32O3

Molecular Weight: 344.488509

Exact Mass: 344.235145

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Imamura, P.M., Costa, M. J Nat Prod (2000) 63, 1623-5

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) 18.2
2 (CH2) 26.7
3 (CH) 126.2
4 (C) 142.9
5 (C) 37.9
6 (CH2) 36.2
7 (CH2) 27.2
8 (CH) 36.3
9 (C) 38.8
10 (CH) 46.3
11 (CH2) 38.6
12 (CH2) 18.2
13 (C) 125.9
14 (CH) 111.2
15 (CH) 142.9
16 (CH) 138.6
17 (CH3) 16
18 (CH2) 65.1
19 (CH3) 21.3
20 (CH3) 18.1
18a (C) 171.3
18b (CH3) 21.2