Spektraris NMR
Cyclogalagenin
Common Name: Cyclogalagenin
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 - Hirotani, M., Zhou, Y., Rui, H.K., Furuya, T. Phytochemistry (1994) 37, 1403-7
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) | 31.3 |
| 3 (CH) | 78.3 |
| 4 (C) | 42.2 |
| 5 (CH) | 53.9 |
| 6 (CH) | 68.3 |
| 7 (CH2) | 38.6 |
| 8 (CH) | 47 |
| 9 (C) | 20.6 |
| 10 (C) | 29.4 |
| 11 (CH2) | 26.3 |
| 12 (CH2) | 33.6 |
| 13 (C) | 46.5 |
| 14 (C) | 46.1 |
| 15 (CH2) | 48.9 |
| 16 (CH) | 72.9 |
| 17 (CH) | 56.4 |
| 18 (CH3) | 21 |
| 19 (CH2) | 30.8 |
| 20 (C) | 86.5 |
| 21 (CH3) | 26.1 |
| 22 (CH2) | 37.3 |
| 23 (CH2) | 24.1 |
| 24 (CH) | 85 |
| 25 (C) | 70 |
| 26 (CH3) | 27.9 |
| 27 (CH3) | 26.8 |
| 28 (CH3) | 29 |
| 29 (CH3) | 15.9 |
| 30 (CH3) | 20.2 |
