Spektraris NMR
agnosterone
Common Name: agnosterone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,12,15,21-22,25H,9,11,13-14,16-19H2,1-8H3/t21-,22-,25+,28-,29-,30+/m1/s1
InChIKey: InChIKey=XKYJBQWATZUMSB-WUELKCQHSA-N
Formula: C30H46O1
Molecular Weight: 422.686757
Exact Mass: 422.354866
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ràsecke, J., Kànig, W.A. Phytochemistry (1999) 52, 1621-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 36.66 |
| 2 (CH2) | 34.89 |
| 3 (C) | 216.88 |
| 4 (C) | 47.52 |
| 5 (CH) | 50.75 |
| 6 (CH2) | 23.7 |
| 7 (CH) | 119.85 |
| 8 (C) | 142.98 |
| 9 (C) | 144.52 |
| 10 (C) | 37.23 |
| 11 (CH) | 117.37 |
| 12 (CH2) | 37.86 |
| 13 (C) | 43.78 |
| 14 (C) | 50.34 |
| 15 (CH2) | 31.62 |
| 16 (CH2) | 27.91 |
| 17 (CH) | 50.95 |
| 18 (CH3) | 15.73 |
| 19 (CH3) | 22.09 |
| 20 (CH) | 36.07 |
| 21 (CH3) | 18.46 |
| 22 (CH2) | 36.3 |
| 23 (CH2) | 24.97 |
| 24 (CH) | 125.19 |
| 25 (C) | 131.04 |
| 26 (CH3) | 17.67 |
| 27 (CH3) | 25.76 |
| 28 (CH3) | 22.49 |
| 29 (CH3) | 25.38 |
| 30 (CH3) | 25.47 |
