Spektraris NMR
Certonardosterol H
Common Name: Certonardosterol H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H44O4/c1-15(14-27)5-6-16(2)20-13-23(30)24-18-12-22(29)21-11-17(28)7-9-25(21,3)19(18)8-10-26(20,24)4/h5-6,15-24,27-30H,7-14H2,1-4H3/b6-5+/t15?,16-,17+,18-,19+,20-,21-,22+,23-,24-,25-,26-/m1/s1
InChIKey: InChIKey=OJUYKMCASYNMLF-ODJGDKCGSA-N
Formula: C26H44O4
Molecular Weight: 420.626146
Exact Mass: 420.32396
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Wang, W., Li, F., Park, Y., Hong, J., Lee, C.O., Kong, J.Y., Shin, S., Im, K.S., Jung, J.H. J Nat Prod (2003) 66, 384-91
Species:
Notes: Family : Steroids, Type : Cholestanes; 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) | 38.6 |
| 2 (CH2) | 32 |
| 3 (CH) | 72 |
| 4 (CH2) | 33 |
| 5 (CH) | 53.1 |
| 6 (CH) | 70 |
| 7 (CH2) | 41.8 |
| 8 (CH) | 31.6 |
| 9 (CH) | 55.7 |
| 10 (C) | 37.5 |
| 11 (CH2) | 22.2 |
| 12 (CH2) | 42.8 |
| 13 (C) | 43.3 |
| 14 (CH) | 62.2 |
| 15 (CH) | 70.6 |
| 16 (CH2) | 42.5 |
| 17 (CH) | 57.5 |
| 18 (CH3) | 15.3 |
| 19 (CH3) | 13.8 |
| 20 (CH) | 41.3 |
| 21 (CH3) | 21.3 |
| 22 (CH) | 137.9 |
| 23 (CH) | 131.6 |
| 24 (CH) | 40.5 |
| 25 (CH2) | 68.4 |
| 26 (CH3) | 17.3 |
