Spektraris NMR
Gloeophyllic acid A
Common Name: Gloeophyllic acid A
Synonyms: Gloeophyllic acid A
CAS Registry Number:
InChI: InChI=1S/C29H48O5/c1-26(2)22-10-9-21-20(27(22,3)15-14-23(26)30)13-17-28(4)19(12-16-29(21,28)5)18(25(31)32)8-11-24(33-6)34-7/h18-19,22-24,30H,8-17H2,1-7H3,(H,31,32)/t18-,19-,22+,23+,27-,28-,29+/m1/s1
InChIKey: InChIKey=BKYXFMBVCZTLAT-WNBOPUNHSA-N
Formula: C29H48O5
Molecular Weight: 476.689522
Exact Mass: 476.350175
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Rosecke, J., Konig, W.A. Phytochemistry (2000) 54, 603-10
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) | 35.72 |
| 2 (CH2) | 28.32 |
| 3 (CH) | 77.61 |
| 4 (C) | 39.14 |
| 5 (CH) | 50.5 |
| 6 (CH2) | 18.32 |
| 7 (CH2) | 26.43 |
| 8 (C) | 133.88 |
| 9 (C) | 134.77 |
| 10 (C) | 37 |
| 11 (CH2) | 20.87 |
| 12 (CH2) | 29.02 |
| 13 (C) | 44.49 |
| 14 (C) | 49.45 |
| 15 (CH2) | 30.48 |
| 16 (CH2) | 26.98 |
| 17 (CH) | 47.34 |
| 18 (CH3) | 16.02 |
| 19 (CH3) | 19.03 |
| 20 (CH) | 48.56 |
| 21 (C) | 178.18 |
| 22 (CH2) | 30.76 |
| 23 (CH2) | 27.56 |
| 24 (CH) | 104.35 |
| 28 (CH3) | 28.24 |
| 29 (CH3) | 15.96 |
| 30 (CH3) | 24.1 |
| 24a (CH3) | 51.89 |
| 24b (CH3) | 52.57 |
