Spektraris NMR
polyporenic acid C
Common Name: polyporenic acid C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h11,13,18,20,23-24,26,32H,3,9-10,12,14-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,26+,29-,30-,31+/m1/s1
InChIKey: InChIKey=KPKYWYZPIVAHKU-WMNQUVFJSA-N
Formula: C31H46O4
Molecular Weight: 482.695707
Exact Mass: 482.33961
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Rosecke, J., Konig, W.A. Phytochemistry (2000) 54, 757-62
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) | 36.38 |
| 2 (CH2) | 34.54 |
| 3 (C) | 214.79 |
| 4 (C) | 47.08 |
| 5 (CH) | 50.64 |
| 6 (CH2) | 23.47 |
| 7 (CH) | 120.31 |
| 8 (C) | 142.43 |
| 9 (C) | 144.35 |
| 10 (C) | 37.13 |
| 11 (CH) | 117.24 |
| 12 (CH2) | 35.85 |
| 13 (C) | 44.63 |
| 14 (C) | 48.96 |
| 15 (CH2) | 43.95 |
| 16 (CH) | 75.98 |
| 17 (CH) | 57.2 |
| 18 (CH3) | 17.2 |
| 19 (CH3) | 21.96 |
| 20 (CH) | 48.12 |
| 21 (C) | 178.24 |
| 22 (CH2) | 31.04 |
| 23 (CH2) | 32.83 |
| 24 (C) | 155.64 |
| 25 (CH) | 33.73 |
| 26 (CH3) | 21.63 |
| 27 (CH3) | 21.48 |
| 28 (CH3) | 21.63 |
| 29 (CH3) | 25.95 |
| 30 (CH3) | 25.24 |
| 24a (CH2) | 106.64 |
