Spektraris NMR
(3S)-3beta,6alpha-Dimethyl-9-(hydroxymethyl)-3,3abeta,4,5,6,6abeta,9abeta,9balpha-octahydroazuleno[4,5-b]furan-2,7-dione
![(3S)-3beta,6alpha-Dimethyl-9-(hydroxymethyl)-3,3abeta,4,5,6,6abeta,9abeta,9balpha-octahydroazuleno[4,5-b]furan-2,7-dione](/nmr/static/nmr/svg/10009.svg)
Common Name: (3S)-3beta,6alpha-Dimethyl-9-(hydroxymethyl)-3,3abeta,4,5,6,6abeta,9abeta,9balpha-octahydroazuleno[4,5-b]furan-2,7-dione
Synonyms: (3S)-3beta,6alpha-Dimethyl-9-(hydroxymethyl)-3,3abeta,4,5,6,6abeta,9abeta,9balpha-octahydroazuleno[4,5-b]furan-2,7-dione
CAS Registry Number:
InChI: InChI=1S/C15H20O4/c1-7-3-4-10-8(2)15(18)19-14(10)13-9(6-16)5-11(17)12(7)13/h5,7-8,10,12-14,16H,3-4,6H2,1-2H3/t7-,8-,10-,12+,13-,14-/m0/s1
InChIKey: InChIKey=CELTXMYQSVBGOH-LYYFPSJCSA-N
Formula: C15H20O4
Molecular Weight: 264.317473
Exact Mass: 264.136159
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Zhang, H., Liao, Z.X., Yue, J.M. Helv Chim Acta (2004) 87, 976-82
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 13 13 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) | 53.8 |
| 2 (C) | 207.2 |
| 3 (CH) | 128.8 |
| 4 (C) | 183.4 |
| 5 (CH) | 51.2 |
| 6 (CH) | 82.2 |
| 7 (CH) | 51.5 |
| 8 (CH2) | 25.7 |
| 9 (CH2) | 34.9 |
| 10 (CH) | 34.7 |
| 11 (CH) | 41.6 |
| 12 (C) | 177.8 |
| 13 (CH3) | 12.8 |
| 14 (CH3) | 14.9 |
| 15 (CH2) | 62.4 |
