1,1,4abeta-Trimethyl-7-methylene-2,3,4,4a,5,6,7,9abeta-octahydro-1H-benzocycloheptene

1,1,4abeta-Trimethyl-7-methylene-2,3,4,4a,5,6,7,9abeta-octahydro-1H-benzocycloheptene

Common Name: 1,1,4abeta-Trimethyl-7-methylene-2,3,4,4a,5,6,7,9abeta-octahydro-1H-benzocycloheptene

Synonyms: 1,1,4abeta-Trimethyl-7-methylene-2,3,4,4a,5,6,7,9abeta-octahydro-1H-benzocycloheptene

CAS Registry Number:

InChI: InChI=1S/C15H24/c1-12-6-7-13-14(2,3)9-5-10-15(13,4)11-8-12/h6-7,13H,1,5,8-11H2,2-4H3/t13-,15-/m1/s1

InChIKey: InChIKey=FBPKATILHPEQRC-UKRRQHHQSA-N

Formula: C15H24

Molecular Weight: 204.351617

Exact Mass: 204.187801

NMR Solvent: C6D6

MHz:

Calibration:

NMR references: 13C - Cool, L.G. Phytochemistry (2005) 66, 249-60

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Widdranes; 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) 58.2
2 (CH) 131.1
3 (CH) 132.6
4 (C) 148
5 (CH2) 32.2
6 (CH2) 35.7
7 (C) 36
8 (CH2) 44.6
9 (CH2) 18.6
10 (CH2) 42
11 (C) 36.7
12 (CH3) 23.3
13 (CH3) 33.3
14 (CH2) 114.2
15 (CH3) 30.7