Spektraris NMR
2a29-dihydroxy-3-friedelanone diacetate
Common Name: 2a29-dihydroxy-3-friedelanone diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H54O5/c1-21-28(37)24(39-23(3)36)18-26-31(21,6)11-10-25-32(26,7)15-17-34(9)27-19-29(4,20-38-22(2)35)12-13-30(27,5)14-16-33(25,34)8/h21,24-27H,10-20H2,1-9H3/t21-,24+,25-,26+,27+,29+,30+,31+,32+,33+,34-/m0/s1
InChIKey: InChIKey=PQIBCATWDRNWGH-WDGRHOBPSA-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) | 76.4 |
| 3 (C) | 208 |
| 4 (CH) | 54.4 |
| 5 (C) | 43.4 |
| 6 (CH2) | 41 |
| 7 (CH2) | 18.2 |
| 8 (CH) | 52.2 |
| 9 (C) | 36.9 |
| 10 (CH) | 53.3 |
| 11 (CH2) | 35.8 |
| 12 (CH2) | 30.2 |
| 13 (C) | 39.3 |
| 14 (C) | 38.6 |
| 15 (CH2) | 31.1 |
| 16 (CH2) | 35.3 |
| 17 (C) | 31.9 |
| 18 (CH) | 43.2 |
| 19 (CH2) | 36.4 |
| 20 (C) | 33.5 |
| 21 (CH2) | 76.5 |
| 22 (CH2) | 43.7 |
| 23 (CH3) | 6.5 |
| 24 (CH3) | 14.1 |
| 25 (CH3) | 18 |
| 26 (CH3) | 18.8 |
| 27 (CH3) | 19 |
| 28 (CH3) | 32.7 |
| 29 (CH2) | 26.2 |
| 30 (CH3) | 30.8 |
| 2a (C) | 171 |
| 2b (CH3) | 21.1 |
| 29a (C) | 169.7 |
| 29b (CH3) | 21.2 |
