Spektraris NMR
11a-Hydroxypoststerone
Common Name: 11a-Hydroxypoststerone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O6/c1-10(22)11-4-5-21(27)13-7-14(23)12-6-15(24)16(25)8-19(12,2)18(13)17(26)9-20(11,21)3/h7,11-12,15-18,24-27H,4-6,8-9H2,1-3H3/t11-,12+,15-,16+,17-,18-,19+,20-,21-/m1/s1
InChIKey: InChIKey=AXUBMUAOVGJKLY-RUWUBIMMSA-N
Formula: C21H30O6
Molecular Weight: 378.460106
Exact Mass: 378.204239
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Hunyadi, A., Toth, G., Simon, A., Mak, M., Kele, Z., Mathe, I., Bathori, M. J Nat Prod (2004) 67, 1070-2
Species:
Notes: Family : Steroids, Type : Pregnanes; 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) | 39.2 |
| 2 (CH) | 69.1 |
| 3 (CH) | 68.7 |
| 4 (CH2) | 33.5 |
| 5 (CH) | 53 |
| 6 (C) | 206.6 |
| 7 (CH) | 123.3 |
| 8 (C) | 164.4 |
| 9 (CH) | 43.1 |
| 10 (C) | 40.1 |
| 11 (CH) | 69.4 |
| 12 (CH2) | 42.3 |
| 13 (C) | 48.6 |
| 14 (C) | 84.8 |
| 15 (CH2) | 32.3 |
| 16 (CH2) | 22.4 |
| 17 (CH) | 60 |
| 18 (CH3) | 18.4 |
| 19 (CH3) | 24.8 |
| 20 (C) | 212.3 |
| 21 (CH3) | 31.6 |
