Spektraris NMR
(4aS)-3,4aalpha,5alpha-Trimethyl-8-hydroxy-2,4,4a,5,6,7-hexahydronaphtho[2,3-b]furan-2,7-dione
![(4aS)-3,4aalpha,5alpha-Trimethyl-8-hydroxy-2,4,4a,5,6,7-hexahydronaphtho[2,3-b]furan-2,7-dione](/nmr/static/nmr/svg/19041.svg)
Common Name: (4aS)-3,4aalpha,5alpha-Trimethyl-8-hydroxy-2,4,4a,5,6,7-hexahydronaphtho[2,3-b]furan-2,7-dione
Synonyms: (4aS)-3,4aalpha,5alpha-Trimethyl-8-hydroxy-2,4,4a,5,6,7-hexahydronaphtho[2,3-b]furan-2,7-dione
CAS Registry Number:
InChI: InChI=1S/C15H16O4/c1-7-4-11(16)13(17)10-5-12-9(6-15(7,10)3)8(2)14(18)19-12/h5,7,17H,4,6H2,1-3H3/t7-,15+/m1/s1
InChIKey: InChIKey=YFRGOWXYOVAUBU-MLXNANBUSA-N
Formula: C15H16O4
Molecular Weight: 260.28571
Exact Mass: 260.104859
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Liu, J.Q., Zhang, M., Zhang, C.F., Qi, H.Y., Bashall, A., Bligh, S.W.A., Wang, Z.T. Phytochemistry (2008) 69, 2231-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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 (C) | 145.6 |
| 2 (C) | 192.6 |
| 3 (CH2) | 41.1 |
| 4 (CH) | 39.3 |
| 5 (C) | 38.9 |
| 6 (CH2) | 35 |
| 7 (C) | 151.5 |
| 8 (C) | 146.7 |
| 9 (CH) | 102.4 |
| 10 (C) | 132 |
| 11 (C) | 123.7 |
| 12 (C) | 170.8 |
| 13 (CH3) | 8.6 |
| 14 (CH3) | 18.7 |
| 15 (CH3) | 15.1 |
