Spektraris NMR
Rhombitriol
Common Name: Rhombitriol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O3/c1-10-6-5-7-14(4)9-12(16)11(13(2,3)17)8-15(10,14)18/h11-12,16-18H,1,5-9H2,2-4H3/t11-,12+,14+,15-/m1/s1
InChIKey: InChIKey=XGPONYNKAOFSGR-PAPYEOQZSA-N
Formula: C15H26O3
Molecular Weight: 254.365713
Exact Mass: 254.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rukachaisirikul, V., Kaewbumrung, C., Phongpaichit, S., Hajiwangoh, Z. Chem Pharm Bull (2005) 53, 238-40
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 34.4 |
| 2 (CH2) | 21.3 |
| 3 (CH2) | 31.4 |
| 4 (C) | 151.5 |
| 5 (C) | 76 |
| 6 (CH2) | 26.4 |
| 7 (CH) | 43.9 |
| 8 (CH) | 69.1 |
| 9 (CH2) | 42.7 |
| 10 (C) | 37.2 |
| 11 (C) | 73.3 |
| 12 (CH3) | 28.9 |
| 13 (CH3) | 28.7 |
| 14 (CH3) | 22.4 |
| 15 (CH2) | 107.9 |
