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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C17H26O3/c1-11(10-19-13(3)18)9-14-6-5-12(2)15-7-8-16(4)17(14,15)20-16/h9,12,14-15H,5-8,10H2,1-4H3/b11-9+/t12-,14+,15-,16+,17-/m1/s1

InChIKey: InChIKey=XFYJEZCEBAVINO-GGLMBGNOSA-N

Formula: C17H26O3

Molecular Weight: 278.387185

Exact Mass: 278.188195

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) 40.9
2 (CH2) 23.9
3 (CH2) 32.9
4 (C) 70.3
5 (C) 72.1
6 (CH) 33.3
7 (CH) 129.2
8 (CH2) 24.9
9 (CH2) 27.1
10 (CH) 32.9
11 (C) 131.3
12 (CH3) 14.3
13 (CH2) 70.3
14 (CH3) 14
15 (CH3) 5.2
13a (C) 171
13b (CH3) 21