Spektraris NMR
2alpha,7beta,20alpha-Trihydroxy-3beta,21-dimethoxypregnane-5-ene
Common Name: 2alpha,7beta,20alpha-Trihydroxy-3beta,21-dimethoxypregnane-5-ene
Synonyms: 2alpha,7beta,20alpha-Trihydroxy-3beta,21-dimethoxypregnane-5-ene
CAS Registry Number:
InChI: InChI=1S/C23H38O5/c1-22-8-7-16-21(15(22)6-5-14(22)19(26)12-27-3)17(24)9-13-10-20(28-4)18(25)11-23(13,16)2/h9,14-21,24-26H,5-8,10-12H2,1-4H3/t14-,15+,16+,17+,18-,19-,20-,21+,22-,23+/m1/s1
InChIKey: InChIKey=GIRBZGMOKYPJOD-DBYTUCKASA-N
Formula: C23H38O5
Molecular Weight: 394.545699
Exact Mass: 394.271924
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, W., Tang, W., Lou, L., Zhao, W. Phytochemistry (2006) 67, 1041-7
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) | 44 |
| 2 (CH) | 70.5 |
| 3 (CH) | 85 |
| 4 (CH2) | 34.8 |
| 5 (C) | 142 |
| 6 (CH) | 126.3 |
| 7 (CH) | 73.1 |
| 8 (CH) | 40.1 |
| 9 (CH) | 48.4 |
| 10 (C) | 37.9 |
| 11 (CH2) | 26.4 |
| 12 (CH2) | 38.3 |
| 13 (C) | 52.2 |
| 14 (CH) | 55.4 |
| 15 (CH2) | 20.8 |
| 16 (CH2) | 24.8 |
| 17 (CH) | 42.2 |
| 18 (CH3) | 12.8 |
| 19 (CH3) | 20.2 |
| 20 (CH) | 71.1 |
| 21 (CH2) | 76.5 |
| 3a (CH3) | 56.6 |
| 21a (CH3) | 58.9 |
