Spektraris NMR
Cyclogalegigenin
Common Name: Cyclogalegigenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-24(2)20(33)8-11-30-16-29(30)13-12-26(5)23(28(7)10-9-21(35-28)25(3,4)34)18(32)15-27(26,6)19(29)14-17(31)22(24)30/h17-23,31-34H,8-16H2,1-7H3/t17-,18-,19-,20-,21+,22-,23-,26+,27-,28-,29-,30+/m0/s1
InChIKey: InChIKey=WENNXORDXYGDTP-ODAITAILSA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Alaniya, M.D., Chkadua, N.F., Gigoshvili, T.I., Kemertelidze, E.P. Chem Nat Compd (2006) 42, 445-8
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) | 32.5 |
| 2 (CH2) | 31.5 |
| 3 (CH) | 78.2 |
| 4 (C) | 42.4 |
| 5 (CH) | 53.3 |
| 6 (CH) | 68.2 |
| 7 (CH2) | 38 |
| 8 (CH) | 47 |
| 9 (C) | 20.8 |
| 10 (C) | 29.9 |
| 11 (CH2) | 26.3 |
| 12 (CH2) | 33.4 |
| 13 (C) | 45.3 |
| 14 (C) | 46.6 |
| 15 (CH2) | 47 |
| 16 (CH) | 73.1 |
| 17 (CH) | 58.1 |
| 18 (CH3) | 21.63 |
| 19 (CH2) | 30.9 |
| 20 (C) | 86.7 |
| 21 (CH3) | 28.4 |
| 22 (CH2) | 34.8 |
| 23 (CH2) | 26.1 |
| 24 (CH) | 85 |
| 25 (C) | 70.1 |
| 26 (CH3) | 27.2 |
| 27 (CH3) | 28 |
| 28 (CH3) | 29.4 |
| 29 (CH3) | 20.17 |
| 30 (CH3) | 16.2 |
