Spektraris NMR
(3aS)-3,5,8abeta-Trimethyl-6-methoxy-4aalpha-(trans-cinnamoyloxy)-4a,7,8,8a,9,9aalpha-hexahydronaphtho[2,3-b]furan-4(3abetaH)-one
![(3aS)-3,5,8abeta-Trimethyl-6-methoxy-4aalpha-(trans-cinnamoyloxy)-4a,7,8,8a,9,9aalpha-hexahydronaphtho[2,3-b]furan-4(3abetaH)-one](/nmr/static/nmr/svg/20116.svg)
Common Name: (3aS)-3,5,8abeta-Trimethyl-6-methoxy-4aalpha-(trans-cinnamoyloxy)-4a,7,8,8a,9,9aalpha-hexahydronaphtho[2,3-b]furan-4(3abetaH)-one
Synonyms: (3aS)-3,5,8abeta-Trimethyl-6-methoxy-4aalpha-(trans-cinnamoyloxy)-4a,7,8,8a,9,9aalpha-hexahydronaphtho[2,3-b]furan-4(3abetaH)-one
CAS Registry Number:
InChI: InChI=1S/C25H28O5/c1-16-15-29-20-14-24(3)13-12-19(28-4)17(2)25(24,23(27)22(16)20)30-21(26)11-10-18-8-6-5-7-9-18/h5-11,15,20,22H,12-14H2,1-4H3/b11-10+/t20-,22+,24-,25+/m1/s1
InChIKey: InChIKey=OHJOLXCVQUXFGH-MHEBWNBUSA-N
Formula: C25H28O5
Molecular Weight: 408.487763
Exact Mass: 408.193674
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wu, B., Qu, H.B., Cheng, Y.Y. Helv Chim Acta (2008) 91, 725-33
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 33.6 |
| 2 (CH2) | 24.8 |
| 3 (C) | 150.3 |
| 4 (C) | 135.9 |
| 5 (C) | 88.1 |
| 6 (C) | 201.8 |
| 7 (CH) | 63.8 |
| 8 (CH) | 77.2 |
| 9 (CH2) | 37.5 |
| 10 (C) | 41.3 |
| 11 (C) | 123.1 |
| 12 (CH) | 145.9 |
| 13 (CH3) | 9.9 |
| 14 (CH3) | 22.8 |
| 15 (CH3) | 24.8 |
| 3a (CH3) | 54.5 |
| 5a (C) | 169.3 |
| 5b (CH) | 121 |
| 5c (CH) | 144.1 |
| 5d (C) | 135.1 |
| 5e (CH) | 129.3 |
| 5f (CH) | 128.5 |
| 5g (CH) | 130.3 |
| 5h (CH) | 128.5 |
| 5i (CH) | 129.3 |
