Spektraris NMR
Gibberoepoxysterol
Common Name: Gibberoepoxysterol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H46O3/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-14-25-28(31-25)15-19(29)13-24(30)27(28,6)23(20)11-12-26(21,22)5/h16,18-25,29-30H,3,7-15H2,1-2,4-6H3/t18-,19+,20+,21-,22+,23+,24+,25+,26-,27+,28+/m1/s1
InChIKey: InChIKey=GPCQIPUVKXSNKM-JGRLSXHCSA-N
Formula: C28H46O3
Molecular Weight: 430.664095
Exact Mass: 430.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmed, A.F., Hsieh, Y.T., Wen, Z.H., Wu, Y.C., Sheu, J.H. J Nat Prod (2006) 69, 1275-9
Species:
Notes: Family : Steroids, Type : Ergostanes; 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 (CH) | 73.2 |
| 2 (CH2) | 39.1 |
| 3 (CH) | 64.4 |
| 4 (CH2) | 39.2 |
| 5 (C) | 64.6 |
| 6 (CH) | 56.8 |
| 7 (CH2) | 28.7 |
| 8 (CH) | 29.9 |
| 9 (CH) | 36.8 |
| 10 (C) | 38.9 |
| 11 (CH2) | 19.9 |
| 12 (CH2) | 39.1 |
| 13 (C) | 42.4 |
| 14 (CH) | 56.8 |
| 15 (CH2) | 24.1 |
| 16 (CH2) | 28 |
| 17 (CH) | 55.7 |
| 18 (CH3) | 11.8 |
| 19 (CH3) | 16.5 |
| 20 (CH) | 35.7 |
| 21 (CH3) | 18.6 |
| 22 (CH2) | 34.6 |
| 23 (CH2) | 30.9 |
| 24 (C) | 156.8 |
| 25 (CH) | 33.8 |
| 26 (CH3) | 21.8 |
| 27 (CH3) | 22 |
| 24a (CH2) | 105.9 |
