(3S,7aalpha)-3alpha,3aalpha-Epoxy-4alpha-[(E)-2-methyl-3-oxo-1-propenyl]-3,7beta-dimethyloctahydro-1H-indene

(3S,7aalpha)-3alpha,3aalpha-Epoxy-4alpha-[(E)-2-methyl-3-oxo-1-propenyl]-3,7beta-dimethyloctahydro-1H-indene

Common Name: (3S,7aalpha)-3alpha,3aalpha-Epoxy-4alpha-[(E)-2-methyl-3-oxo-1-propenyl]-3,7beta-dimethyloctahydro-1H-indene

Synonyms: (3S,7aalpha)-3alpha,3aalpha-Epoxy-4alpha-[(E)-2-methyl-3-oxo-1-propenyl]-3,7beta-dimethyloctahydro-1H-indene

CAS Registry Number:

InChI: InChI=1S/C15H22O2/c1-10(9-16)8-12-5-4-11(2)13-6-7-14(3)15(12,13)17-14/h8-9,11-13H,4-7H2,1-3H3/b10-8+/t11-,12+,13-,14+,15-/m1/s1

InChIKey: InChIKey=WZFLXDPAHIAFNU-STPATLDNSA-N

Formula: C15H22O2

Molecular Weight: 234.334545

Exact Mass: 234.16198

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Wang, P.C., Hu, J.M., Ran, X.H., Chen, Z.Q., Jiang, H.Z., Liu, Y.Q., Zhou, J., Zhao, Y.X. J Nat Prod (2009) 72, 1682-5

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Valerenanes; 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) 41
2 (CH2) 23.9
3 (CH2) 32.7
4 (C) 70.4
5 (C) 71.2
6 (CH) 34.7
7 (CH) 153.7
8 (CH2) 24.3
9 (CH2) 27.5
10 (CH) 32.7
11 (C) 140.2
12 (CH3) 9.5
13 (CH) 195.4
14 (CH3) 13.8
15 (CH3) 15.2