Spektraris NMR
2α-hydroxy pterodontic acid
Common Name: 2α-hydroxy pterodontic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-9-6-12(16)8-15(3)5-4-11(7-13(9)15)10(2)14(17)18/h7,9,11-12,16H,2,4-6,8H2,1,3H3,(H,17,18)/t9-,11+,12-,15-/m0/s1
InChIKey: InChIKey=DMHTVMKPXSSENE-LIBKGXAOSA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Liu, Y.B., Jia, W., Yao, Z., Pan, Q., Takaishi, Y., Duan, H.Q. J Asian Nat Prod Res (2007) 9, 233-7
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) | 52.3 |
| 2 (CH) | 63.3 |
| 3 (CH2) | 43.7 |
| 4 (CH) | 39.9 |
| 5 (C) | 147.4 |
| 6 (CH) | 125.2 |
| 7 (CH) | 39.6 |
| 8 (CH2) | 26.9 |
| 9 (CH2) | 42.3 |
| 10 (C) | 35.9 |
| 11 (C) | 147.9 |
| 12 (C) | 170.1 |
| 13 (CH2) | 123 |
| 14 (CH3) | 28.7 |
| 15 (CH3) | 24.7 |
