Spektraris NMR
Blazeispirol C
Common Name: Blazeispirol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O4/c1-14-17-10-12-23(6)18-11-13-24(23,19(17)8-9-20(14)27-7)29-25(15(18)2)21(26)16(3)22(4,5)28-25/h8-9,15-16,18,21,26H,10-13H2,1-7H3/t15-,16-,18+,21+,23+,24-,25-/m0/s1
InChIKey: InChIKey=QEVQGAGSLSJTLO-TVHHQFAESA-N
Formula: C25H36O4
Molecular Weight: 400.551884
Exact Mass: 400.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hirotani M., Sai K., Nagai R., Hirotani S., Takayanagi H., Yoshikawa T. Phytochemistry (2002) 61, 589-95
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 |
|---|---|
| 5 (C) | 155.9 |
| 6 (CH) | 108.3 |
| 7 (CH) | 123.5 |
| 8 (C) | 132.8 |
| 9 (C) | 133.4 |
| 10 (C) | 124.2 |
| 11 (CH2) | 23.8 |
| 12 (CH2) | 29.4 |
| 13 (C) | 42.9 |
| 14 (C) | 83.5 |
| 15 (CH2) | 38.8 |
| 16 (CH2) | 21 |
| 17 (CH) | 50.5 |
| 18 (CH3) | 14.7 |
| 19 (CH3) | 11.1 |
| 20 (CH) | 34 |
| 21 (CH3) | 16.7 |
| 22 (C) | 107.8 |
| 23 (CH) | 85.1 |
| 24 (CH) | 44.1 |
| 25 (C) | 84 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 30.8 |
| 28 (CH3) | 8.6 |
| 5a (CH3) | 55.6 |
