Spektraris NMR
Blazeispirol G
Common Name: Blazeispirol G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O5/c1-13-19(28-7)9-8-17-20(13)18(26)12-23(6)16-10-11-24(17,23)30-25(14(16)2)21(27)15(3)22(4,5)29-25/h8-9,14-16,18,21,26-27H,10-12H2,1-7H3/t14-,15-,16+,18+,21+,23+,24-,25-/m0/s1
InChIKey: InChIKey=MZTFHKCGOTZMAW-TUHYAZFOSA-N
Formula: C25H36O5
Molecular Weight: 416.551289
Exact Mass: 416.256274
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) | 156.8 |
| 6 (CH) | 110.1 |
| 7 (CH) | 123.7 |
| 8 (C) | 132.8 |
| 9 (C) | 135.1 |
| 10 (C) | 126 |
| 11 (CH) | 66.1 |
| 12 (CH2) | 41.1 |
| 13 (C) | 46.4 |
| 14 (C) | 82.9 |
| 15 (CH2) | 38.4 |
| 16 (CH2) | 21.4 |
| 17 (CH) | 50.1 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 12.5 |
| 20 (CH) | 33.4 |
| 21 (CH3) | 16.5 |
| 22 (C) | 107.7 |
| 23 (CH) | 84.9 |
| 24 (CH) | 44 |
| 25 (C) | 84.1 |
| 26 (CH3) | 25.6 |
| 27 (CH3) | 30.7 |
| 28 (CH3) | 8.6 |
| 5a (CH3) | 55.5 |
