Spektraris NMR
27-Oic-3-oxo-28-friedelanoic acid
Common Name: 27-Oic-3-oxo-28-friedelanoic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-18-19(31)7-8-20-26(18,4)10-9-21-27(20,5)12-16-30(24(34)35)22-17-25(2,3)11-14-29(22,23(32)33)15-13-28(21,30)6/h18,20-22H,7-17H2,1-6H3,(H,32,33)(H,34,35)/t18-,20+,21-,22+,26+,27-,28+,29-,30-/m0/s1
InChIKey: InChIKey=HISSBGKEQKCGQZ-FYGYZEFFSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, L., Huang, X., Sattler, I., Fu, H., Grabley, S., Lin, W. Magn Reson Chem (2006) 44, 624-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 22.59 |
| 2 (CH2) | 41.77 |
| 3 (C) | 213.12 |
| 4 (CH) | 58.52 |
| 5 (C) | 42.41 |
| 6 (CH2) | 41.17 |
| 7 (CH2) | 18.54 |
| 8 (CH) | 54.13 |
| 9 (C) | 38.16 |
| 10 (CH) | 59.77 |
| 11 (CH2) | 38.6 |
| 12 (CH2) | 28.83 |
| 13 (C) | 55.16 |
| 14 (C) | 39.3 |
| 15 (CH2) | 33.9 |
| 16 (CH2) | 29.88 |
| 17 (C) | 45.44 |
| 18 (CH) | 38.43 |
| 19 (CH2) | 37 |
| 20 (C) | 29.15 |
| 21 (CH2) | 32.57 |
| 22 (CH2) | 35.37 |
| 23 (CH3) | 7.15 |
| 24 (CH3) | 15.02 |
| 25 (CH3) | 18.65 |
| 26 (CH3) | 23.53 |
| 27 (C) | 178.07 |
| 28 (C) | 182.7 |
| 29 (CH3) | 34.52 |
| 30 (CH3) | 29.6 |
