Spektraris NMR
Gibberoketosterol B
Common Name: Gibberoketosterol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H44O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-14-25(31)28(32)15-19(29)13-24(30)27(28,6)23(20)11-12-26(21,22)5/h7-8,16,18-24,29-30,32H,3,9-15H2,1-2,4-6H3/b8-7+/t18-,19+,20+,21-,22+,23+,24+,26-,27+,28-/m1/s1
InChIKey: InChIKey=GGUKDEVDQIQJKX-FBLPJEGZSA-N
Formula: C28H44O4
Molecular Weight: 444.647618
Exact Mass: 444.32396
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) | 70.8 |
| 2 (CH2) | 37.6 |
| 3 (CH) | 67.7 |
| 4 (CH2) | 37.3 |
| 5 (C) | 83.7 |
| 6 (C) | 211.3 |
| 7 (CH2) | 41 |
| 8 (CH) | 37.4 |
| 9 (CH) | 43.4 |
| 10 (C) | 49.2 |
| 11 (CH2) | 23.6 |
| 12 (CH2) | 39.6 |
| 13 (C) | 42.4 |
| 14 (CH) | 56.9 |
| 15 (CH2) | 24.2 |
| 16 (CH2) | 28 |
| 17 (CH) | 56.1 |
| 18 (CH3) | 12.2 |
| 19 (CH3) | 13.4 |
| 20 (CH) | 40.2 |
| 21 (CH3) | 20.4 |
| 22 (CH) | 135.5 |
| 23 (CH) | 129.5 |
| 24 (C) | 152.9 |
| 25 (CH) | 29.4 |
| 26 (CH3) | 22 |
| 27 (CH3) | 22.4 |
| 24a (CH2) | 109.7 |
