Spektraris NMR
Polyporenic acid A
Common Name: Polyporenic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H50O3/c1-19(21(3)27(33)34)9-10-20(2)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h20-22,25-26,32H,1,9-18H2,2-8H3,(H,33,34)/t20-,21?,22-,25+,26-,29-,30-,31+/m1/s1
InChIKey: InChIKey=XFQRAXVAPABXQP-HWVQRYMNSA-N
Formula: C31H50O3
Molecular Weight: 470.728065
Exact Mass: 470.375995
NMR Solvent: C+P
MHz:
Calibration:
NMR references: 13C - Kamo, T., Asanoma, M., Shibata, H., Hirota, M. J Nat Prod (2003) 66, 1104-6
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) | 29.9 |
| 2 (CH2) | 25.9 |
| 3 (CH) | 75.7 |
| 4 (C) | 36.9 |
| 5 (CH) | 44.3 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 26.1 |
| 8 (C) | 134.6 |
| 9 (C) | 133.5 |
| 10 (C) | 37.6 |
| 11 (CH2) | 32.9 |
| 12 (CH2) | 73.2 |
| 13 (C) | 49.7 |
| 14 (C) | 49.7 |
| 15 (CH2) | 32 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 43.1 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 18.8 |
| 20 (CH) | 36 |
| 21 (CH3) | 17.8 |
| 22 (CH2) | 34.9 |
| 23 (CH2) | 31.8 |
| 24 (C) | 149.7 |
| 25 (CH) | 46.1 |
| 26 (C) | 179.8 |
| 27 (CH3) | 16.5 |
| 28 (CH3) | 28.1 |
| 29 (CH3) | 22.2 |
| 30 (CH3) | 24.4 |
| 24a (CH2) | 111.3 |
