Spektraris NMR
Blazeispirol V1
Common Name: Blazeispirol V1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O6/c1-14-17-9-12-27(34-28(14)23(32)15(2)24(3,4)33-28)20-18(8-11-26(17,27)6)25(5)10-7-16(29)13-19(25)21(30)22(20)31/h8,11,13-15,17,21-23,30-32H,7,9-10,12H2,1-6H3/t14-,15-,17+,21-,22-,23+,25+,26+,27-,28-/m0/s1
InChIKey: InChIKey=GKTIPUYIQKAQLI-LTGVEDDOSA-N
Formula: C28H38O6
Molecular Weight: 470.598783
Exact Mass: 470.266839
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) | 35.3 |
| 2 (CH2) | 34.2 |
| 3 (C) | 198.9 |
| 4 (CH) | 127.7 |
| 5 (C) | 163.6 |
| 6 (CH) | 76 |
| 7 (CH) | 67.5 |
| 8 (C) | 132 |
| 9 (C) | 133.4 |
| 10 (C) | 36.9 |
| 11 (CH) | 120.3 |
| 12 (CH) | 141.9 |
| 13 (C) | 48.1 |
| 14 (C) | 82.7 |
| 15 (CH2) | 38.1 |
| 16 (CH2) | 25.7 |
| 17 (CH) | 50.5 |
| 18 (CH3) | 14.5 |
| 19 (CH3) | 24.4 |
| 20 (CH) | 33.8 |
| 21 (CH3) | 16.4 |
| 22 (C) | 107.6 |
| 23 (CH) | 84.8 |
| 24 (CH) | 44 |
| 25 (C) | 84.6 |
| 26 (CH3) | 25.5 |
| 27 (CH3) | 30.3 |
| 28 (CH3) | 8.5 |
