Spektraris NMR
12α-Acetoxy-17β-hydroxy-15,17-oxidospongian-16-one
Common Name: 12α-Acetoxy-17β-hydroxy-15,17-oxidospongian-16-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O6/c1-11(23)26-12-10-14-21(4)8-5-7-20(2,3)13(21)6-9-22(14)16-15(12)17(24)27-18(16)28-19(22)25/h12-16,18-19,25H,5-10H2,1-4H3/t12-,13-,14+,15+,16-,18?,19+,21-,22-/m0/s1
InChIKey: InChIKey=ADKDEFXBDGXIFR-CIGVRDITSA-N
Formula: C22H32O6
Molecular Weight: 392.486723
Exact Mass: 392.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yong, K.W.L., Salim, A.A., Garson, M.J. Tetrahedron (2008) 64, 6733-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Spongianes; 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) | 38.8 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 41.6 |
| 4 (C) | 33.1 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 19.9 |
| 7 (CH2) | 40.7 |
| 8 (C) | 46.5 |
| 9 (CH) | 47.4 |
| 10 (C) | 37.3 |
| 11 (CH2) | 22.6 |
| 12 (CH) | 69.5 |
| 13 (CH) | 43 |
| 14 (CH) | 47.7 |
| 15 (CH) | 104.4 |
| 16 (C) | 173.2 |
| 17 (CH) | 103.8 |
| 18 (CH3) | 33.2 |
| 19 (CH3) | 21.3 |
| 20 (CH3) | 15.6 |
| 12a (C) | 169.5 |
| 12b (CH3) | 21.2 |
