Spektraris NMR
Dehydroguggulsterone-M
Common Name: Dehydroguggulsterone-M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O3/c1-13(25-4)20-19(24)12-18-16-6-5-14-11-15(23)7-9-21(14,2)17(16)8-10-22(18,20)3/h7,9,11,16-18H,5-6,8,10,12H2,1-4H3/b20-13-/t16?,17?,18?,21-,22-/m0/s1
InChIKey: InChIKey=VODVRLMPRRXINS-HVFOMWKBSA-N
Formula: C22H28O3
Molecular Weight: 340.456746
Exact Mass: 340.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Meselhy M.R. Phytochemistry (2003) 62, 213-8
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 (CH) | 155.6 |
| 2 (CH) | 127.5 |
| 3 (C) | 186.3 |
| 4 (CH) | 123.9 |
| 5 (C) | 168.5 |
| 6 (CH2) | 32.6 |
| 7 (CH2) | 30.4 |
| 8 (CH) | 33.2 |
| 9 (CH) | 51.5 |
| 10 (C) | 45 |
| 11 (CH2) | 22.6 |
| 12 (CH2) | 35.1 |
| 13 (C) | 43.7 |
| 14 (CH) | 52.6 |
| 15 (CH2) | 33.3 |
| 16 (C) | 195.4 |
| 17 (C) | 125.7 |
| 18 (CH3) | 16 |
| 19 (CH3) | 18.6 |
| 20 (C) | 170.5 |
| 21 (CH3) | 31.2 |
| 20a (CH3) | 57.4 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.