Spektraris NMR
2b,21a-dihydroxy-3-friedelanone diacetate
Common Name: 2b,21a-dihydroxy-3-friedelanone diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H54O5/c1-20-28(37)23(38-21(2)35)17-25-31(20,7)12-11-24-32(25,8)14-16-34(10)26-18-29(4,5)27(39-22(3)36)19-30(26,6)13-15-33(24,34)9/h20,23-27H,11-19H2,1-10H3/t20-,23-,24-,25+,26+,27+,30-,31+,32+,33+,34-/m0/s1
InChIKey: InChIKey=BHJUYEJGYFDIQX-NPYPLSQTSA-N
Formula: C34H54O5
Molecular Weight: 542.790846
Exact Mass: 542.397125
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tane, P., Tsopmo, A., Ngnokam, D., Ayafor, J.F., Sterner, O. Tetrahedron (1996) 52, 14989-94
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) | 28.2 |
| 2 (CH) | 76.5 |
| 3 (C) | 208.2 |
| 4 (CH) | 54.3 |
| 5 (C) | 43.2 |
| 6 (CH2) | 40.9 |
| 7 (CH2) | 18.2 |
| 8 (CH) | 52.9 |
| 9 (C) | 36.8 |
| 10 (CH) | 53.2 |
| 11 (CH2) | 35.4 |
| 12 (CH2) | 29.9 |
| 13 (C) | 39.7 |
| 14 (C) | 38.3 |
| 15 (CH2) | 32.1 |
| 16 (CH2) | 35.8 |
| 17 (C) | 30.2 |
| 18 (CH) | 42.5 |
| 19 (CH2) | 30.1 |
| 20 (C) | 31.8 |
| 21 (CH) | 72.8 |
| 22 (CH2) | 37.9 |
| 23 (CH3) | 6.5 |
| 24 (CH3) | 14 |
| 25 (CH3) | 17.9 |
| 26 (CH3) | 19.9 |
| 27 (CH3) | 18.5 |
| 28 (CH3) | 32 |
| 29 (CH3) | 28.1 |
| 30 (CH3) | 29.4 |
| 2a (C) | 171.5 |
| 2b (CH3) | 21 |
| 21a (C) | 169.9 |
| 21b (CH3) | 21.2 |
