Spektraris NMR
15-Oxospongi-13-en-19-oic acid
Common Name: 15-Oxospongi-13-en-19-oic acid
Synonyms: 15-Oxospongi-13-en-19-oic acid
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-18-8-4-9-20(3,17(22)23)14(18)7-10-19(2)13(18)6-5-12-11-24-16(21)15(12)19/h13-14H,4-11H2,1-3H3,(H,22,23)/t13-,14-,18-,19-,20+/m1/s1
InChIKey: InChIKey=GSAAVBGTKPELAN-MOPYOMAISA-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) | 39.98 |
| 2 (CH2) | 17.23 |
| 3 (CH2) | 37.73 |
| 4 (C) | 43.72 |
| 5 (CH) | 57.09 |
| 6 (CH2) | 18.88 |
| 7 (CH2) | 35.92 |
| 8 (C) | 35.05 |
| 9 (CH) | 56.16 |
| 10 (C) | 37.94 |
| 11 (CH2) | 19.34 |
| 12 (CH2) | 25.46 |
| 13 (C) | 158.97 |
| 14 (C) | 135.57 |
| 15 (C) | 172.38 |
| 16 (CH2) | 70.57 |
| 17 (CH3) | 20.75 |
| 18 (CH3) | 28.7 |
| 19 (C) | 184.07 |
| 20 (CH3) | 13.91 |
