Spektraris NMR
Cyclocanthogenin
Common Name: Cyclocanthogenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O5/c1-17(8-9-22(34)26(4,5)35)23-19(32)15-28(7)20-14-18(31)24-25(2,3)21(33)10-11-30(24)16-29(20,30)13-12-27(23,28)6/h17-24,31-35H,8-16H2,1-7H3/t17-,18+,19-,20+,21+,22+,23-,24+,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=NNYKOYIGBZQYAI-RIWUWENZSA-N
Formula: C30H52O5
Molecular Weight: 492.732021
Exact Mass: 492.381475
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) | 32.8 |
| 2 (CH2) | 31.3 |
| 3 (CH) | 78.3 |
| 4 (C) | 42.3 |
| 5 (CH) | 54 |
| 6 (CH) | 68.3 |
| 7 (CH2) | 38.5 |
| 8 (CH) | 47.2 |
| 9 (C) | 21.4 |
| 10 (C) | 30.4 |
| 11 (CH2) | 26.4 |
| 12 (CH2) | 33.3 |
| 13 (C) | 45.8 |
| 14 (C) | 46.9 |
| 15 (CH2) | 48.4 |
| 16 (CH) | 72 |
| 17 (CH) | 51.4 |
| 18 (CH3) | 18.2 |
| 19 (CH2) | 29.1 |
| 20 (CH) | 28.8 |
| 21 (CH3) | 19 |
| 22 (CH2) | 33.1 |
| 23 (CH2) | 28 |
| 24 (CH) | 77.2 |
| 25 (C) | 72.5 |
| 26 (CH3) | 25.4 |
| 27 (CH3) | 26.5 |
| 28 (CH3) | 29.2 |
| 29 (CH3) | 16 |
| 30 (CH3) | 20.2 |
