Spektraris NMR
Hispidol A 25-Me Ether
Common Name: Hispidol A 25-Me Ether
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H54O4/c1-19(18-23(32)26(34)28(4,5)35-9)20-12-16-31(8)22-10-11-24-27(2,3)25(33)14-15-29(24,6)21(22)13-17-30(20,31)7/h10,19-21,23-26,32-34H,11-18H2,1-9H3/t19-,20-,21-,23+,24-,25+,26+,29+,30-,31+/m0/s1
InChIKey: InChIKey=WGBAIFKOFXMHLP-VILJPCNQSA-N
Formula: C31H54O4
Molecular Weight: 490.759233
Exact Mass: 490.40221
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Xu, G.H., Kim, J.A., Kim, S.Y., Ryu, J.C., Kim, Y.S., Jung, S.H., Kim, M.K., Lee, S.H. Chem Pharm Bull (2008) 56, 839-42
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) | 31.8 |
| 2 (CH2) | 26.49 |
| 3 (CH) | 75.2 |
| 4 (C) | 37.86 |
| 5 (CH) | 44.8 |
| 6 (CH2) | 24.27 |
| 7 (CH) | 118.4 |
| 8 (C) | 146.3 |
| 9 (CH) | 49.04 |
| 10 (C) | 35.08 |
| 11 (CH2) | 18.3 |
| 12 (CH2) | 34.27 |
| 13 (C) | 43.71 |
| 14 (C) | 51.45 |
| 15 (CH2) | 34.11 |
| 16 (CH2) | 28.72 |
| 17 (CH) | 54.22 |
| 18 (CH3) | 21.93 |
| 19 (CH3) | 13.38 |
| 20 (CH) | 34.47 |
| 21 (CH3) | 19.52 |
| 22 (CH2) | 42.87 |
| 23 (CH) | 68.21 |
| 24 (CH) | 76.65 |
| 25 (C) | 78.67 |
| 26 (CH3) | 22.48 |
| 27 (CH3) | 20.73 |
| 28 (CH3) | 28.65 |
| 29 (CH3) | 22.11 |
| 30 (CH3) | 27.44 |
| 25a (CH3) | 49.17 |
