Spektraris NMR
Sorbinol B
Common Name: Sorbinol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-18(2)19-9-12-30(17-32)14-13-28(5)20(24(19)30)7-8-23-26(3)15-21(33)25(34)27(4,16-31)22(26)10-11-29(23,28)6/h7,19,21-25,31-34H,1,8-17H2,2-6H3/t19-,21+,22?,23+,24+,25-,26-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=KESBIKYUTMWVJX-HQSWMQPUSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kazmi, M.H., Ahmed, E., Hameed, S., Malik, A., Ashraf, M. Magn Reson Chem (2007) 45, 416-9
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) | 46.8 |
| 2 (CH) | 68.5 |
| 3 (CH) | 83.2 |
| 4 (C) | 43 |
| 5 (CH) | 47.1 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 30.2 |
| 8 (C) | 38.9 |
| 9 (CH) | 47.7 |
| 10 (C) | 39.5 |
| 11 (CH2) | 22.1 |
| 12 (CH) | 123.1 |
| 13 (C) | 140.8 |
| 14 (C) | 41 |
| 15 (CH2) | 26.6 |
| 16 (CH2) | 30.6 |
| 17 (C) | 43.8 |
| 18 (CH) | 52.8 |
| 19 (CH) | 51 |
| 20 (C) | 150.6 |
| 21 (CH2) | 27.4 |
| 22 (CH2) | 33.2 |
| 23 (CH2) | 64.4 |
| 24 (CH3) | 21.4 |
| 25 (CH3) | 18.5 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 22.5 |
| 28 (CH2) | 65.9 |
| 29 (CH2) | 109 |
| 30 (CH3) | 20.6 |
