Spektraris NMR
cyclophlidonol
Common Name: cyclophlidonol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O/c1-20(2)27(5,6)14-11-21(3)23-12-15-29(8)26-10-9-24-22(4)25(32)13-16-30(24)19-31(26,30)18-17-28(23,29)7/h21-26,32H,1,9-19H2,2-8H3/t21-,22+,23+,24+,25+,26+,28-,29+,30-,31+/m1/s1
InChIKey: InChIKey=NIOFPRMMTSIOFF-SVHBJQPBSA-N
Formula: C31H52O1
Molecular Weight: 440.745137
Exact Mass: 440.401816
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bi, Z.M., Wang, Z.T., Xu, L.S. Chin Chem Lett (2004) 15, 1179-81
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 30.8 |
| 2 (CH2) | 34.8 |
| 3 (CH) | 76.6 |
| 4 (CH) | 44.6 |
| 5 (CH) | 43.4 |
| 6 (CH2) | 24.7 |
| 7 (CH2) | 28.1 |
| 8 (CH) | 46.8 |
| 9 (C) | 23.6 |
| 10 (C) | 29.7 |
| 11 (CH2) | 25.1 |
| 12 (CH2) | 35.4 |
| 13 (C) | 45.3 |
| 14 (C) | 48.9 |
| 15 (CH2) | 32.8 |
| 16 (CH2) | 27.2 |
| 17 (CH) | 52.1 |
| 18 (CH3) | 17.7 |
| 19 (CH2) | 27 |
| 20 (CH) | 36.6 |
| 21 (CH3) | 18.5 |
| 22 (CH2) | 30.8 |
| 23 (CH2) | 37.4 |
| 24 (C) | 38.7 |
| 25 (C) | 152.3 |
| 26 (CH2) | 109.3 |
| 27 (CH3) | 19.4 |
| 28 (CH3) | 14.4 |
| 30 (CH3) | 19.2 |
| 24a (CH3) | 27.2 |
| 24b (CH3) | 27.5 |
