Spektraris NMR
16,25-dihydroxy-13(24),17-cheilanthadien-19,25-olide
Common Name: 16,25-dihydroxy-13(24),17-cheilanthadien-19,25-olide
Synonyms: 16,25-dihydroxy-13(24),17-cheilanthadien-19,25-olide
CAS Registry Number:
InChI: InChI=1S/C25H38O4/c1-15-7-8-20-24(4,12-9-19-23(2,3)10-6-11-25(19,20)5)17(15)14-18(26)16-13-21(27)29-22(16)28/h13,17-20,22,26,28H,1,6-12,14H2,2-5H3/t17-,18?,19+,20+,22?,24+,25+/m1/s1
InChIKey: InChIKey=LWTIZOHDKCIZPP-XHEWZUHNSA-N
Formula: C25H38O4
Molecular Weight: 402.567766
Exact Mass: 402.27701
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Buchanan, M.S., Edser, A., King, G., Whitmore, J., Quinn, R.J. J Nat Prod (2001) 64, 300-3
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Cheilanthanes; 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) | 40.1 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 42 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 40.82 |
| 8 (C) | 40.2 |
| 9 (CH) | 60.1 |
| 10 (C) | 37.9 |
| 11 (CH2) | 23.3 |
| 12 (CH2) | 38.2 |
| 13 (C) | 149.44 |
| 14 (CH) | 53.8 |
| 15 (CH2) | 30.19 |
| 16 (CH) | 68.4 |
| 17 (C) | 170.31 |
| 18 (CH) | 118.92 |
| 19 (C) | 170.51 |
| 20 (CH3) | 33.3 |
| 21 (CH3) | 21.5 |
| 22 (CH3) | 16.2 |
| 23 (CH3) | 15.5 |
| 24 (CH2) | 106.9 |
| 25 (CH) | 98.13 |
