Spektraris NMR
Isosativenetriol
Common Name: Isosativenetriol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O3/c1-7-9-12(16)10-8(14(2,3)18)5-6-15(7,4)11(10)13(9)17/h8-13,16-18H,1,5-6H2,2-4H3/t8-,9+,10-,11+,12-,13?,15-/m0/s1
InChIKey: InChIKey=ZAMMUPBTBWXWKL-CYLPMLPKSA-N
Formula: C15H24O3
Molecular Weight: 252.349831
Exact Mass: 252.172545
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Osterhage, C., Konig, G.M., Holler, U., Wright, A.D. J Nat Prod (2002) 65, 306-13
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Isosativanes; 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) | 59.6 |
| 2 (C) | 156.9 |
| 3 (C) | 41.5 |
| 4 (CH2) | 39.1 |
| 5 (CH2) | 20.7 |
| 6 (CH) | 48.8 |
| 7 (CH) | 46.3 |
| 8 (CH3) | 28.8 |
| 9 (C) | 74 |
| 10 (CH3) | 28.9 |
| 11 (CH3) | 27.1 |
| 12 (CH2) | 105.5 |
| 13 (CH) | 56.6 |
| 14 (CH) | 78.6 |
| 15 (CH) | 76 |
