Spektraris NMR
29-Hydroxypolyporenic Acid C
Common Name: 29-Hydroxypolyporenic Acid C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O5/c1-18(2)19(3)8-9-20(27(35)36)26-23(33)16-31(7)22-10-11-24-28(4,21(22)12-15-30(26,31)6)14-13-25(34)29(24,5)17-32/h10,12,18,20,23-24,26,32-33H,3,8-9,11,13-17H2,1-2,4-7H3,(H,35,36)/t20-,23-,24-,26+,28-,29-,30-,31+/m1/s1
InChIKey: InChIKey=WMGIVNDVJFWFEU-ROUXZGEUSA-N
Formula: C31H46O5
Molecular Weight: 498.695112
Exact Mass: 498.334525
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhou, L., Zhang, Y., Gapter, L.A., Ling, H., Agarwal, R., Ng, K.Y. Chem Pharm Bull (2008) 56, 1459-562
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) | 36.4 |
| 2 (CH2) | 35.3 |
| 3 (C) | 215.5 |
| 4 (C) | 43.1 |
| 5 (CH) | 52.7 |
| 6 (CH2) | 23.8 |
| 7 (CH) | 120.9 |
| 8 (C) | 142.8 |
| 9 (C) | 144.4 |
| 10 (C) | 37.2 |
| 11 (CH) | 118 |
| 12 (CH2) | 36.2 |
| 13 (C) | 45.1 |
| 14 (C) | 49.4 |
| 15 (CH2) | 44.4 |
| 16 (CH) | 76.4 |
| 17 (CH) | 57.6 |
| 18 (CH3) | 17.7 |
| 19 (CH3) | 22.5 |
| 20 (CH) | 48.5 |
| 21 (C) | 178.6 |
| 22 (CH2) | 31.5 |
| 23 (CH2) | 33.2 |
| 24 (C) | 156.1 |
| 25 (CH) | 34.2 |
| 26 (CH3) | 22.1 |
| 27 (CH3) | 21.9 |
| 28 (CH3) | 18.7 |
| 29 (CH2) | 66.9 |
| 30 (CH3) | 26.1 |
| 24a (CH2) | 107 |
