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/8540.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: CD3OD
MHz:
Calibration:
NMR references: 13C - Zidorn, C., Ellmerer-Muller, E.P., Ongania, K.H., Sturm, S., Stuppner, H. J Nat Prod (2000) 63, 812-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 55.3 |
| 2 (C) | 211.6 |
| 3 (CH) | 129.3 |
| 4 (C) | 186.3 |
| 5 (CH) | 52.1 |
| 6 (CH) | 83.4 |
| 7 (CH) | 52.2 |
| 8 (CH2) | 26.2 |
| 9 (CH2) | 35.7 |
| 10 (CH) | 36.2 |
| 11 (CH) | 42.9 |
| 12 (C) | 180.8 |
| 13 (CH3) | 13 |
| 14 (CH3) | 15.1 |
| 15 (CH2) | 63 |
