Spektraris NMR
Sorbinol A
Common Name: Sorbinol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-18-10-12-26(3)14-15-28(5)20(25(26)19(18)2)8-9-22-29(28,6)13-11-21-27(4,17-31)23(32)16-24(33)30(21,22)7/h8,11,14-15,18-19,22-25,31-33H,9-10,12-13,16-17H2,1-7H3/t18-,19+,22+,23+,24-,25+,26-,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=WKFJPEUCTXNXQX-NJULAIRLSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
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 : Ursanes; 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 (CH) | 78.1 |
| 2 (CH2) | 32 |
| 3 (CH) | 71.6 |
| 4 (C) | 43.1 |
| 5 (C) | 145.5 |
| 6 (CH) | 120.1 |
| 7 (CH2) | 37 |
| 8 (C) | 40.8 |
| 9 (CH) | 41.6 |
| 10 (C) | 39.4 |
| 11 (CH2) | 25.5 |
| 12 (CH) | 123.2 |
| 13 (C) | 141.1 |
| 14 (C) | 43.7 |
| 15 (CH) | 136.6 |
| 16 (CH) | 138 |
| 17 (C) | 38.1 |
| 18 (CH) | 50.8 |
| 19 (CH) | 37.7 |
| 20 (CH) | 38 |
| 21 (CH2) | 27.1 |
| 22 (CH2) | 34.9 |
| 23 (CH2) | 64.5 |
| 24 (CH3) | 21.5 |
| 25 (CH3) | 22.2 |
| 26 (CH3) | 24.1 |
| 27 (CH3) | 20.9 |
| 28 (CH3) | 23.5 |
| 29 (CH3) | 17.9 |
| 30 (CH3) | 19.9 |
