Spektraris NMR
Certonardosterol A
Common Name: Certonardosterol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H48O6/c1-15(17(3)14-29)6-7-16(2)18-12-20(31)25-26(18,4)11-9-22-27(5)10-8-19(30)24(33)23(27)21(32)13-28(22,25)34/h16-25,29-34H,1,6-14H2,2-5H3/t16-,17-,18-,19+,20-,21+,22-,23+,24+,25-,26-,27-,28+/m1/s1
InChIKey: InChIKey=ASXJPYBLHOPGBL-SEIPZOKNSA-N
Formula: C28H48O6
Molecular Weight: 480.678191
Exact Mass: 480.345089
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) | 39.7 |
| 2 (CH2) | 26.2 |
| 3 (CH) | 73.7 |
| 4 (CH) | 69.1 |
| 5 (CH) | 57.3 |
| 6 (CH) | 64.8 |
| 7 (CH2) | 49.7 |
| 8 (C) | 77.4 |
| 9 (CH) | 58.4 |
| 10 (C) | 38.1 |
| 11 (CH2) | 19.2 |
| 12 (CH2) | 43.3 |
| 13 (C) | 44.4 |
| 14 (CH) | 62.7 |
| 15 (CH) | 71.1 |
| 16 (CH2) | 42.5 |
| 17 (CH) | 57.8 |
| 18 (CH3) | 16.5 |
| 19 (CH3) | 17 |
| 20 (CH) | 36 |
| 21 (CH3) | 18.9 |
| 22 (CH2) | 35.5 |
| 23 (CH2) | 32.7 |
| 24 (C) | 153.8 |
| 25 (CH) | 43.3 |
| 26 (CH2) | 67.5 |
| 27 (CH3) | 17.2 |
| 24a (CH2) | 109.4 |
