Spektraris NMR
TuberculariolB
Common Name: TuberculariolB
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-8-6-13(17)15(18)12-5-4-11(9(2)7-16)10(3)14(8)12/h4-5,8,13,15-18H,2,6-7H2,1,3H3/t8-,13-,15-/m0/s1
InChIKey: InChIKey=NJHBOGXWJIZGGR-IIRLODAESA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Xu, R., Wang, M.Z., Lu, C.H., Zheng, Z.H., Shen, Y.M. Helv Chim Acta (2009) 92, 1514-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cacalols; 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) | 75.6 |
| 2 (CH) | 68.7 |
| 3 (CH2) | 37.2 |
| 4 (CH) | 30.8 |
| 5 (C) | 140.1 |
| 6 (C) | 132.1 |
| 7 (C) | 139.7 |
| 8 (CH) | 126.7 |
| 9 (CH) | 124.7 |
| 10 (C) | 136.7 |
| 11 (C) | 150.8 |
| 12 (CH2) | 64.9 |
| 13 (CH2) | 111.2 |
| 14 (CH3) | 20.4 |
| 15 (CH3) | 14.4 |
