Spektraris NMR
2a,28-Diacetoxyfriedelan-3-one
Common Name: 2a,28-Diacetoxyfriedelan-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H54O5/c1-21-28(37)24(39-23(3)36)18-26-30(21,6)11-10-25-31(26,7)13-14-33(9)27-19-29(4,5)12-16-34(27,20-38-22(2)35)17-15-32(25,33)8/h21,24-27H,10-20H2,1-9H3/t21-,24+,25-,26+,27-,30+,31+,32+,33-,34+/m0/s1
InChIKey: InChIKey=KXJSBHGLDVQMKX-YBJMQMKASA-N
Formula: C34H54O5
Molecular Weight: 542.790846
Exact Mass: 542.397125
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ngouamegne, E.T., Fongang, R.S., Ngouela, S., Boyom, F.F., Rohmer, M., Tsamo, E., Gut, J., Rosenthal, P.J. Chem Pharm Bull (2008) 56, 374-7
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) | 29.6 |
| 2 (CH) | 76.5 |
| 3 (C) | 208.2 |
| 4 (CH) | 54.4 |
| 5 (C) | 43.2 |
| 6 (CH2) | 41 |
| 7 (CH2) | 18.2 |
| 8 (CH) | 52.4 |
| 9 (C) | 36.9 |
| 10 (CH) | 53.3 |
| 11 (CH2) | 35.3 |
| 12 (CH2) | 30 |
| 13 (C) | 39.4 |
| 14 (C) | 39.2 |
| 15 (CH2) | 31.2 |
| 16 (CH2) | 28.2 |
| 17 (C) | 38.1 |
| 18 (CH) | 39.2 |
| 19 (CH2) | 34.3 |
| 20 (C) | 28 |
| 21 (CH2) | 32.2 |
| 22 (CH2) | 33.1 |
| 23 (CH3) | 6.5 |
| 24 (CH3) | 14.1 |
| 25 (CH3) | 18 |
| 26 (CH3) | 19 |
| 27 (CH3) | 19.2 |
| 28 (CH2) | 69.2 |
| 29 (CH3) | 32.8 |
| 30 (CH3) | 34.2 |
| 2a (C) | 169.7 |
| 2b (CH3) | 21.1 |
| 28a (C) | 168.1 |
| 28b (CH3) | 21.1 |
