(3S)-4,5,6,6aalpha,7,7a-Hexahydro-3beta,5,5,7aalpha-tetramethylcyclopropa[3,4]cyclohepta[1,2-c]furan-1(3H)-one

(3S)-4,5,6,6aalpha,7,7a-Hexahydro-3beta,5,5,7aalpha-tetramethylcyclopropa[3,4]cyclohepta[1,2-c]furan-1(3H)-one

Common Name: (3S)-4,5,6,6aalpha,7,7a-Hexahydro-3beta,5,5,7aalpha-tetramethylcyclopropa[3,4]cyclohepta[1,2-c]furan-1(3H)-one

Synonyms: (3S)-4,5,6,6aalpha,7,7a-Hexahydro-3beta,5,5,7aalpha-tetramethylcyclopropa[3,4]cyclohepta[1,2-c]furan-1(3H)-one

CAS Registry Number:

InChI: InChI=1S/C14H20O2/c1-8-10-7-13(2,3)5-9-6-14(9,4)11(10)12(15)16-8/h8-9H,5-7H2,1-4H3/t8-,9-,14+/m0/s1

InChIKey: InChIKey=JYVVXGYNFYHSER-UINNMSKDSA-N

Formula: C14H20O2

Molecular Weight: 220.307927

Exact Mass: 220.14633

NMR Solvent: CD3COCD3

MHz:

Calibration:

NMR references: 13C - Bovi Mitre, G., Kamiya, N., Bardon, A., Asakawa, Y. J Nat Prod (2004) 67, 31-6

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Africananes; 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) 42.1
2 (C) 160.9
3 (CH) 78.7
5 (C) 173.5
6 (C) 129.6
7 (C) 15.5
8 (CH2) 21.7
9 (CH) 20.7
10 (CH2) 43
11 (C) 31.8
12 (CH3) 26.8
13 (CH3) 33
14 (CH3) 23
15 (CH3) 18.6