Spektraris NMR
(1aR,4aR,5aS,8aS)-1a,4a,7,7-Tetramethyl-1,1a,6,7,8,8a-hexahydro-3H-cyclopropa[3,4]cyclohepta[1,2-c]oxireno[b]pyran-3-one
![(1aR,4aR,5aS,8aS)-1a,4a,7,7-Tetramethyl-1,1a,6,7,8,8a-hexahydro-3H-cyclopropa[3,4]cyclohepta[1,2-c]oxireno[b]pyran-3-one](/nmr/static/nmr/svg/6720.svg)
Common Name: (1aR,4aR,5aS,8aS)-1a,4a,7,7-Tetramethyl-1,1a,6,7,8,8a-hexahydro-3H-cyclopropa[3,4]cyclohepta[1,2-c]oxireno[b]pyran-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-12(2)6-9-7-13(9,3)10-5-11(16)17-14(4)15(10,8-12)18-14/h5,9H,6-8H2,1-4H3/t9-,13+,14-,15-/m0/s1
InChIKey: InChIKey=HSCIYWCSFZTNLU-FLCCKXIQSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
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) | 39.6 |
| 2 (C) | 58.9 |
| 3 (C) | 89.4 |
| 4 (C) | 160.9 |
| 5 (CH) | 120.6 |
| 6 (C) | 165.8 |
| 7 (C) | 23.7 |
| 8 (CH2) | 19.8 |
| 9 (CH) | 19.5 |
| 10 (CH2) | 42.8 |
| 11 (C) | 33.4 |
| 12 (CH3) | 29.7 |
| 13 (CH3) | 30 |
| 14 (CH3) | 23.8 |
| 15 (CH3) | 18.7 |
