Spektraris NMR
Certonardosterol E
Common Name: Certonardosterol E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H48O4/c1-16(18(3)15-29)6-7-17(2)22-14-25(32)26-20-13-24(31)23-12-19(30)8-10-27(23,4)21(20)9-11-28(22,26)5/h17-26,29-32H,1,6-15H2,2-5H3/t17-,18-,19+,20-,21+,22-,23-,24-,25+,26-,27-,28-/m1/s1
InChIKey: InChIKey=KZKDLDINCJUKQF-VJZHZRKVSA-N
Formula: C28H48O4
Molecular Weight: 448.679381
Exact Mass: 448.35526
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 : Campestanes; 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) | 39.9 |
| 2 (CH2) | 32.2 |
| 3 (CH) | 72.4 |
| 4 (CH2) | 36.3 |
| 5 (CH) | 48.9 |
| 6 (CH) | 72.5 |
| 7 (CH2) | 40.8 |
| 8 (CH) | 31.4 |
| 9 (CH) | 55.8 |
| 10 (C) | 36.6 |
| 11 (CH2) | 22.1 |
| 12 (CH2) | 41.6 |
| 13 (C) | 45 |
| 14 (CH) | 63.8 |
| 15 (CH) | 74.2 |
| 16 (CH2) | 41.8 |
| 17 (CH) | 54.9 |
| 18 (CH3) | 13.7 |
| 19 (CH3) | 16.3 |
| 20 (CH) | 36.3 |
| 21 (CH3) | 19 |
| 22 (CH2) | 35.7 |
| 23 (CH2) | 32.6 |
| 24 (C) | 153.7 |
| 25 (CH) | 43.3 |
| 26 (CH2) | 67.5 |
| 27 (CH3) | 17.2 |
| 24a (CH2) | 109.4 |
