Spektraris NMR
Certonardosterol I
Common Name: Certonardosterol I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H50O5/c1-16(19(4)18(3)15-30)11-17(2)21-13-23(32)26-28(21,6)10-8-25-27(5)9-7-20(31)12-22(27)24(33)14-29(25,26)34/h11,17-26,30-34H,7-10,12-15H2,1-6H3/b16-11+/t17-,18+,19+,20+,21-,22-,23-,24+,25-,26-,27+,28-,29+/m1/s1
InChIKey: InChIKey=KPNZIJDIWSLXBI-ZESZIVLYSA-N
Formula: C29H50O5
Molecular Weight: 478.705403
Exact Mass: 478.365825
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) | 39.4 |
| 2 (CH2) | 31.5 |
| 3 (CH) | 72.2 |
| 4 (CH2) | 32.4 |
| 5 (CH) | 53.9 |
| 6 (CH) | 67.6 |
| 7 (CH2) | 49.5 |
| 8 (C) | 77.5 |
| 9 (CH) | 57.4 |
| 10 (C) | 38 |
| 11 (CH2) | 19.7 |
| 12 (CH2) | 43.3 |
| 13 (C) | 44.2 |
| 14 (CH) | 62.7 |
| 15 (CH) | 71.2 |
| 16 (CH2) | 42.8 |
| 17 (CH) | 58.5 |
| 18 (CH3) | 16.8 |
| 19 (CH3) | 14.1 |
| 20 (CH) | 35.3 |
| 21 (CH3) | 20.7 |
| 22 (CH) | 132.9 |
| 23 (C) | 136.2 |
| 24 (CH) | 45.9 |
| 25 (CH) | 39.2 |
| 26 (CH2) | 67.2 |
| 27 (CH3) | 14.3 |
| 23a (CH3) | 14 |
| 24a (CH3) | 16.4 |
