Spektraris NMR
Longithorol D
Common Name: Longithorol D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O3/c1-15-7-5-9-16(2)11-18-13-21(24)19(14-20(18)23)22(25-4)12-17(3)10-6-8-15/h8-9,12-14,22-24H,5-7,10-11H2,1-4H3/b15-8+,16-9-,17-12+
InChIKey: InChIKey=ZHZZOPYJIJGANS-KTQDMNGQSA-N
Formula: C22H30O3
Molecular Weight: 342.472627
Exact Mass: 342.219495
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Davis, R.A., Carroll, A.R., Quinn, R.J. J Nat Prod (1999) 62, 1405-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Miscellanea; 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) | 81.2 |
| 2 (CH) | 127.4 |
| 3 (C) | 133.9 |
| 4 (CH2) | 38.5 |
| 5 (CH2) | 23.8 |
| 6 (CH) | 121 |
| 7 (C) | 134.2 |
| 8 (CH2) | 38.8 |
| 9 (CH2) | 26 |
| 10 (CH) | 125.8 |
| 11 (C) | 133 |
| 12 (CH2) | 32.9 |
| 13 (CH3) | 15.1 |
| 14 (CH3) | 16.1 |
| 15 (CH3) | 27.3 |
| 16 (C) | 126.3 |
| 17 (C) | 147.1 |
| 18 (CH) | 114.3 |
| 19 (C) | 124.8 |
| 20 (C) | 147.4 |
| 21 (CH) | 117.2 |
| 1a (CH3) | 55.4 |
