Spektraris NMR
Dichomitol
Common Name: Dichomitol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O3/c1-14(8-17)5-10-11(6-14)15(2)4-3-9(7-16)12(15)13(10)18/h10-11,13,16-18H,3-8H2,1-2H3/t10-,11+,13+,14+,15-/m0/s1
InChIKey: InChIKey=RTRNIJJMGPYEML-JHOKLZQASA-N
Formula: C15H24O3
Molecular Weight: 252.349831
Exact Mass: 252.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Huang, Z., Dan, Y., Huang, Y., Lin, L., Li, T., Ye, W., Wei, X. J Nat Prod (2004) 67, 2121-3
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Hirsutanes; 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) | 36 |
| 2 (CH) | 45.5 |
| 3 (C) | 45.9 |
| 4 (CH2) | 36.1 |
| 5 (CH2) | 25.1 |
| 6 (C) | 129.1 |
| 7 (C) | 145.8 |
| 8 (CH) | 74.3 |
| 9 (CH) | 50.5 |
| 10 (CH2) | 40.8 |
| 11 (C) | 45.1 |
| 12 (CH2) | 72.1 |
| 13 (CH3) | 22.7 |
| 14 (CH3) | 20.3 |
| 15 (CH2) | 59 |
