Spektraris NMR
Cyclamiretin-A
Common Name: Cyclamiretin-A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-24(2)19-7-11-27(5)20(26(19,4)10-9-22(24)32)8-12-30-21-15-25(3,17-31)13-14-29(21,18-34-30)23(33)16-28(27,30)6/h17,19-23,32-33H,7-16,18H2,1-6H3/t19-,20+,21+,22-,23+,25-,26-,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=UBWMMEPLQFWYCH-GFRLSDCRSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Glombitza K.W., Kurth H. Planta Med (1987) 53, 548
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 39.2 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 89.1 |
| 4 (C) | 39.7 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 18 |
| 7 (CH2) | 33.5 |
| 8 (C) | 42.6 |
| 9 (CH) | 50.5 |
| 10 (C) | 36.9 |
| 11 (CH2) | 19.2 |
| 12 (CH2) | 34.4 |
| 13 (C) | 86.4 |
| 14 (C) | 44.1 |
| 15 (CH2) | 36.9 |
| 16 (CH) | 77.7 |
| 17 (C) | 44.7 |
| 18 (CH) | 53.4 |
| 19 (CH2) | 30.6 |
| 20 (C) | 48.4 |
| 21 (CH2) | 32.7 |
| 22 (CH2) | 32.4 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 16.7 |
| 25 (CH3) | 16.4 |
| 26 (CH3) | 18.6 |
| 27 (CH3) | 19.8 |
| 28 (CH2) | 78 |
| 29 (CH3) | 24.2 |
| 30 (CH) | 207.6 |
