Spektraris NMR
Blazeispirol Z1
Common Name: Blazeispirol Z1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O5/c1-16(29)10-13-25(6)20-11-14-26(7)19-12-15-27(26,21(20)8-9-22(25)30)33-28(17(19)2)23(31)18(3)24(4,5)32-28/h8-9,17-19,23,31H,10-15H2,1-7H3/t17-,18-,19+,23+,25+,26+,27-,28-/m0/s1
InChIKey: InChIKey=JASZNDQUKJVDQJ-NAKLDNGTSA-N
Formula: C28H40O5
Molecular Weight: 456.61526
Exact Mass: 456.287574
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 |
|---|---|
| 1 (CH2) | 33.6 |
| 2 (CH2) | 38.7 |
| 3 (C) | 207.9 |
| 4 (CH3) | 29.9 |
| 5 (C) | 206.1 |
| 6 (CH) | 123.6 |
| 7 (CH) | 140.9 |
| 8 (C) | 131.3 |
| 9 (C) | 146.9 |
| 10 (C) | 52.5 |
| 11 (CH2) | 22.3 |
| 12 (CH2) | 28.6 |
| 13 (C) | 43.2 |
| 14 (C) | 82.2 |
| 15 (CH2) | 37.5 |
| 16 (CH2) | 20.7 |
| 17 (CH) | 49.8 |
| 18 (CH3) | 14.7 |
| 19 (CH3) | 25.5 |
| 20 (CH) | 34 |
| 21 (CH3) | 16.6 |
| 22 (C) | 108.1 |
| 23 (CH) | 84.7 |
| 24 (CH) | 44 |
| 25 (C) | 84.6 |
| 26 (CH3) | 25 |
| 27 (CH3) | 30.7 |
| 28 (CH3) | 8.5 |
