Spektraris NMR
Celasdin-A
Common Name: Celasdin-A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-19-20(32)8-9-21-26(19,3)11-10-22-27(21,4)14-15-29(6)23-16-25(2,18-31)12-13-28(23,5)24(33)17-30(22,29)7/h19,21-24,31,33H,8-18H2,1-7H3/t19-,21+,22-,23+,24+,25+,26+,27-,28-,29-,30+/m0/s1
InChIKey: InChIKey=PXERLCBZUVMKBK-OUIABQOISA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
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) | 22.2 |
| 2 (CH2) | 41.4 |
| 3 (C) | 213 |
| 4 (CH) | 58.1 |
| 5 (C) | 42.2 |
| 6 (CH2) | 41.1 |
| 7 (CH2) | 18.4 |
| 8 (CH) | 53.3 |
| 9 (C) | 37.4 |
| 10 (CH) | 59.4 |
| 11 (CH2) | 35.6 |
| 12 (CH2) | 30.7 |
| 13 (C) | 40.1 |
| 14 (C) | 39.1 |
| 15 (CH2) | 44.1 |
| 16 (CH) | 75.3 |
| 17 (C) | 35.6 |
| 18 (CH) | 44.5 |
| 19 (CH2) | 27.54 |
| 20 (C) | 33.3 |
| 21 (CH2) | 29.63 |
| 22 (CH2) | 35 |
| 23 (CH3) | 6.8 |
| 24 (CH3) | 14.6 |
| 25 (CH3) | 18.1 |
| 26 (CH3) | 19.9 |
| 27 (CH3) | 21.3 |
| 28 (CH3) | 25.09 |
| 29 (CH2) | 70.6 |
| 30 (CH3) | 29.3 |
