Spektraris NMR
Celasdin-C
Common Name: Celasdin-C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-18-19(31)9-10-21-27(18,5)15-20(32)24-28(21,6)17-23(33)30(8)22-16-25(2,3)11-12-26(22,4)13-14-29(24,30)7/h18,21-24,33H,9-17H2,1-8H3/t18-,21+,22+,23-,24-,26+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=FUKZZTBLRPJDBZ-KIZUZYHPSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kuo, Y.H., Kuo, L.M.Y. Phytochemistry (1997) 44, 1275-81
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 21.8 |
| 2 (CH2) | 40.87 |
| 3 (C) | 210.6 |
| 4 (CH) | 57.95 |
| 5 (C) | 43.14 |
| 6 (CH2) | 47.23 |
| 7 (C) | 210.2 |
| 8 (CH) | 63.37 |
| 9 (C) | 39.77 |
| 10 (CH) | 59.24 |
| 11 (CH2) | 57.04 |
| 12 (CH) | 72.79 |
| 13 (C) | 44.84 |
| 14 (C) | 47.6 |
| 15 (CH2) | 32.6 |
| 16 (CH2) | 39.06 |
| 17 (C) | 31.07 |
| 18 (CH) | 43.27 |
| 19 (CH2) | 32.75 |
| 20 (C) | 28.46 |
| 21 (CH2) | 38.3 |
| 22 (CH2) | 35.64 |
| 23 (CH3) | 6.97 |
| 24 (CH3) | 15.27 |
| 25 (CH3) | 19.76 |
| 26 (CH3) | 20.63 |
| 27 (CH3) | 11.67 |
| 28 (CH3) | 31.38 |
| 29 (CH3) | 34.56 |
| 30 (CH3) | 32.24 |
