Spektraris NMR
Guggulsterol-Y
Common Name: Guggulsterol-Y
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H46O4/c1-24(2,30)11-6-12-27(5,31)23-22(29)16-21-19-8-7-17-15-18(28)9-13-25(17,3)20(19)10-14-26(21,23)4/h7,18-23,28-31H,6,8-16H2,1-5H3/t18-,19?,20?,21?,22-,23?,25-,26-,27-/m0/s1
InChIKey: InChIKey=KQTBMRBMNBEPAZ-WPLNPXAKSA-N
Formula: C27H46O4
Molecular Weight: 434.652764
Exact Mass: 434.33961
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 (CH2) | 36.4 |
| 2 (CH2) | 36 |
| 3 (CH) | 72.4 |
| 4 (CH2) | 40.9 |
| 5 (C) | 140.2 |
| 6 (CH) | 120.2 |
| 7 (CH2) | 30.7 |
| 8 (CH) | 30.2 |
| 9 (CH) | 49.5 |
| 10 (C) | 35.6 |
| 11 (CH2) | 19.8 |
| 12 (CH2) | 39.5 |
| 13 (C) | 41.8 |
| 14 (CH) | 53.9 |
| 15 (CH2) | 30.2 |
| 16 (CH) | 70.3 |
| 17 (CH) | 58.8 |
| 18 (CH3) | 13.3 |
| 19 (CH3) | 17.9 |
| 20 (C) | 77.2 |
| 21 (CH3) | 24.6 |
| 22 (CH2) | 43.3 |
| 23 (CH2) | 21.5 |
| 24 (CH2) | 38.8 |
| 25 (C) | 76 |
| 26 (CH3) | 21.1 |
| 27 (CH3) | 21.2 |
