Spektraris NMR
Blazeispirol I
Common Name: Blazeispirol I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H34O5/c1-14-16-9-11-23(5)17-10-12-24(23,18(16)7-8-20(14)28-6)30-25(15(17)2)21(27)19(13-26)22(3,4)29-25/h7-9,11,15,17,19,21,26-27H,10,12-13H2,1-6H3/t15-,17+,19-,21+,23+,24-,25-/m0/s1
InChIKey: InChIKey=ZQFUYFFDPNJAJG-MGPHVKMZSA-N
Formula: C25H34O5
Molecular Weight: 414.535408
Exact Mass: 414.240624
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) | 156.4 |
| 6 (CH) | 108.6 |
| 7 (CH) | 121.4 |
| 8 (C) | 131.8 |
| 9 (C) | 130.3 |
| 10 (C) | 122.5 |
| 11 (CH) | 122.4 |
| 12 (CH) | 139 |
| 13 (C) | 47 |
| 14 (C) | 84.1 |
| 15 (CH2) | 37.1 |
| 16 (CH2) | 24.9 |
| 17 (CH) | 50.5 |
| 18 (CH3) | 15.6 |
| 19 (CH3) | 10.8 |
| 20 (CH) | 33.5 |
| 21 (CH3) | 16.3 |
| 22 (C) | 107.6 |
| 23 (CH) | 82.9 |
| 24 (CH) | 51.9 |
| 25 (C) | 82.7 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 31.7 |
| 28 (CH2) | 59.2 |
| 5a (CH3) | 55.6 |
