Spektraris NMR
1-Dehydrotestosterone
Common Name: 1-Dehydrotestosterone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O3/c1-17-8-5-13(20)11-12(17)3-4-15-14(17)6-9-18(2)16(21)7-10-19(15,18)22/h5,8,11,14-16,21-22H,3-4,6-7,9-10H2,1-2H3/t14-,15-,16+,17+,18-,19-/m1/s1
InChIKey: InChIKey=AMMCJHLYDWYYKQ-RCFCFVIZSA-N
Formula: C19H26O3
Molecular Weight: 302.408656
Exact Mass: 302.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Huszcza E., Dmochowska-Gladysz J. Phytochemistry (2003) 62, 155-8
Species:
Notes: Family : Steroids, Type : Androstanes; 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 (CH) | 155.7 |
| 2 (CH) | 127.5 |
| 3 (C) | 186.3 |
| 4 (CH) | 124 |
| 5 (C) | 168.3 |
| 6 (CH2) | 32.4 |
| 7 (CH2) | 28.7 |
| 8 (CH) | 38.9 |
| 9 (CH) | 45.9 |
| 10 (C) | 43.4 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 33 |
| 13 (C) | 47.2 |
| 14 (C) | 83.2 |
| 15 (CH2) | 29.6 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 78.5 |
| 18 (CH3) | 15 |
| 19 (CH3) | 18.4 |
