Spektraris NMR
3-Oxo-27-hydroxyacetate friedelan-28-oic acid
Common Name: 3-Oxo-27-hydroxyacetate friedelan-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O5/c1-20-22(34)8-9-23-28(20,5)11-10-24-29(23,6)13-17-32(19-37-21(2)33)25-18-27(3,4)12-15-31(25,26(35)36)16-14-30(24,32)7/h20,23-25H,8-19H2,1-7H3,(H,35,36)/t20-,23+,24-,25+,28+,29-,30+,31-,32+/m0/s1
InChIKey: InChIKey=ONHYAQXMBRZABH-DVBRSVMJSA-N
Formula: C32H50O5
Molecular Weight: 514.737611
Exact Mass: 514.365825
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Laure, F., Herbette, G., Faure, R., Bianchini, J.P., Raharivelomanana, P., Fogliani, B. Magn Reson Chem (2005) 43, 65-8
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) | 23.42 |
| 2 (CH2) | 42.2 |
| 3 (C) | 215.94 |
| 4 (CH) | 58.99 |
| 5 (C) | 43.18 |
| 6 (CH2) | 42 |
| 7 (CH2) | 19.37 |
| 8 (CH) | 54.39 |
| 9 (C) | 38.74 |
| 10 (CH) | 60.13 |
| 11 (CH2) | 37.46 |
| 12 (CH2) | 26.04 |
| 13 (C) | 39.26 |
| 14 (C) | 43.83 |
| 15 (CH2) | 32.76 |
| 16 (CH2) | 37.18 |
| 17 (C) | 45.95 |
| 18 (CH) | 39.47 |
| 19 (CH2) | 36.83 |
| 20 (C) | 29.27 |
| 21 (CH2) | 33.6 |
| 22 (CH2) | 30.78 |
| 23 (CH3) | 7.13 |
| 24 (CH3) | 15.01 |
| 25 (CH3) | 18.07 |
| 26 (CH3) | 22.15 |
| 27 (CH2) | 66.25 |
| 28 (C) | 183.81 |
| 29 (CH3) | 29.99 |
| 30 (CH3) | 35.03 |
| 27a (C) | 173.08 |
| 27b (CH3) | 21.51 |
