Spektraris NMR
16-Oxospongi-13-en-19-oic acid
Common Name: 16-Oxospongi-13-en-19-oic acid
Synonyms: 16-Oxospongi-13-en-19-oic acid
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-18-10-7-15-19(2,8-4-9-20(15,3)17(22)23)14(18)6-5-12-13(18)11-24-16(12)21/h14-15H,4-11H2,1-3H3,(H,22,23)/t14-,15+,18-,19+,20-/m0/s1
InChIKey: InChIKey=ZENRAMDHYOLFQK-DJLVLGKWSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, C.J., Schmitz, F.J., Kelly-Borges, M. J Nat Prod (1999) 62, 287-90
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) | 39.71 |
| 2 (CH2) | 16.93 |
| 3 (CH2) | 37.75 |
| 4 (C) | 43.34 |
| 5 (CH) | 56.68 |
| 6 (CH2) | 18.68 |
| 7 (CH2) | 37.27 |
| 8 (C) | 36.7 |
| 9 (CH) | 54.82 |
| 10 (C) | 37.8 |
| 11 (CH2) | 19.34 |
| 12 (CH2) | 21.22 |
| 13 (C) | 122.95 |
| 14 (C) | 171.64 |
| 15 (CH2) | 68.46 |
| 16 (C) | 175.27 |
| 17 (CH3) | 21.3 |
| 18 (CH3) | 28.55 |
| 19 (C) | 180.05 |
| 20 (CH3) | 13.79 |
