Spektraris NMR
Betulin diacetate
Common Name: Betulin diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H54O4/c1-21(2)24-12-17-34(20-37-22(3)35)19-18-32(8)25(29(24)34)10-11-27-31(7)15-14-28(38-23(4)36)30(5,6)26(31)13-16-33(27,32)9/h24-29H,1,10-20H2,2-9H3/t24-,25+,26-,27+,28-,29+,31-,32+,33+,34+/m0/s1
InChIKey: InChIKey=MIROITGPMGDCGI-MQXQNARFSA-N
Formula: C34H54O4
Molecular Weight: 526.791441
Exact Mass: 526.40221
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Patra A., Chaudhuri S.K., Panda S.K. J Nat Prod (1988) 51, 217
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 38.3 |
| 2 (CH2) | 23.6 |
| 3 (CH) | 80.8 |
| 4 (C) | 37.7 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 34.4 |
| 8 (C) | 40.8 |
| 9 (CH) | 50.2 |
| 10 (C) | 37 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 25.1 |
| 13 (CH) | 37.5 |
| 14 (C) | 42.6 |
| 15 (CH2) | 27 |
| 16 (CH2) | 29.6 |
| 17 (C) | 46.2 |
| 18 (CH) | 48.7 |
| 19 (CH) | 47.6 |
| 20 (C) | 150 |
| 21 (CH2) | 29.6 |
| 22 (CH2) | 34.1 |
| 23 (CH3) | 27.8 |
| 24 (CH3) | 16.4 |
| 25 (CH3) | 16 |
| 26 (CH3) | 16 |
| 27 (CH3) | 14.6 |
| 28 (CH2) | 62.7 |
| 29 (CH2) | 109.8 |
| 30 (CH3) | 19 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21 |
| 28a (C) | 170.9 |
| 28b (CH3) | 20.9 |
