Spektraris NMR
2a-Hydroxialantolactone
Common Name: 2a-Hydroxialantolactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h5,8,10-11,13,16H,2,4,6-7H2,1,3H3/t8-,10-,11+,13+,15+/m0/s1
InChIKey: InChIKey=FZSKLHDEGWSLTB-ATYMOLOSSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: Y
MHz:
Calibration:
NMR references: 13C - Al-Yahya, M.A., Khafagy, S., Shihata, A., Kolowski, J.F., Antoun, M.D., Cassady, J.M. J Nat Prod (1984) 47, 1013-7
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) | 50.3 |
| 2 (CH) | 63.2 |
| 3 (CH2) | 41.7 |
| 4 (CH) | 38.5 |
| 5 (C) | 146.7 |
| 6 (CH) | 119.7 |
| 7 (CH) | 39.5 |
| 8 (CH) | 75.6 |
| 9 (CH2) | 42.4 |
| 10 (C) | 33.6 |
| 11 (C) | 139.3 |
| 12 (C) | 170.2 |
| 13 (CH2) | 122.1 |
| 14 (CH3) | 29.6 |
| 15 (CH3) | 23.4 |
