Spektraris NMR
6α,7α,10α-trihydroxyisoducane
Common Name: 6α,7α,10α-trihydroxyisoducane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H28O3/c1-9(2)10-5-7-14(3)11(16)6-8-15(4,18)13(17)12(10)14/h9-13,16-18H,5-8H2,1-4H3/t10-,11+,12+,13+,14+,15-/m0/s1
InChIKey: InChIKey=XUVQJFBJHKRROA-QFEQQRJNSA-N
Formula: C15H28O3
Molecular Weight: 256.381594
Exact Mass: 256.203845
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Hu, Y.M., Yang, Z.L., Wang, H., Ye, W.C. Nat Prod Res (2009) 23, 1279-83
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 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 (C) | 47.5 |
| 2 (CH2) | 39.3 |
| 3 (CH2) | 23.4 |
| 4 (CH) | 50.3 |
| 5 (CH) | 50.6 |
| 6 (CH) | 75.3 |
| 7 (C) | 72.7 |
| 8 (CH2) | 33.7 |
| 9 (CH2) | 28.4 |
| 10 (CH) | 74.3 |
| 11 (CH) | 31.4 |
| 12 (CH3) | 16.3 |
| 13 (CH3) | 21.5 |
| 14 (CH3) | 25 |
| 15 (CH3) | 18.6 |
