5-[2-[(1S,8abeta)-1alpha,2beta,4aalpha-Trimethyl-5-methylenedecahydronaphthalene-1-yl]ethyl]-3,6-dihydro-2H-pyran-2-one

5-[2-[(1S,8abeta)-1alpha,2beta,4aalpha-Trimethyl-5-methylenedecahydronaphthalene-1-yl]ethyl]-3,6-dihydro-2H-pyran-2-one

Common Name: 5-[2-[(1S,8abeta)-1alpha,2beta,4aalpha-Trimethyl-5-methylenedecahydronaphthalene-1-yl]ethyl]-3,6-dihydro-2H-pyran-2-one

Synonyms: 5-[2-[(1S,8abeta)-1alpha,2beta,4aalpha-Trimethyl-5-methylenedecahydronaphthalene-1-yl]ethyl]-3,6-dihydro-2H-pyran-2-one

CAS Registry Number:

InChI: InChI=1S/C21H32O2/c1-15-6-5-7-18-20(15,3)12-10-16(2)21(18,4)13-11-17-8-9-19(22)23-14-17/h8,16,18H,1,5-7,9-14H2,2-4H3/t16-,18-,20-,21-/m0/s1

InChIKey: InChIKey=MXACVEULIRNOHC-GIUOSPMZSA-N

Formula: C21H32O2

Molecular Weight: 316.478368

Exact Mass: 316.24023

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Rosa, S.D., Crispino, A., Giulio, A.D., Iodice, C., Tommonaro, G., Pronzato, R., Sidri, M. Tetrahedron (1999) 55, 13805-8

Species:

Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Bicarbocyclics; 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) 21.3
2 (CH2) 28.7
3 (CH2) 32.9
4 (C) 160.3
5 (C) 40.4
6 (CH2) 29.7
7 (CH2) 25.3
8 (CH) 35.5
9 (C) 38
10 (CH) 47.8
11 (CH2) 37.5
12 (CH2) 25.7
13 (C) 135.6
14 (CH) 114.9
15 (CH2) 30.1
16 (CH2) 71.2
17 (CH3) 14.8
18 (CH3) 21.3
19 (CH2) 102.2
20 (CH3) 20.6
15a (C) 169.4