Spektraris NMR
Sarcopetal-15-en-3-one-12,13-olide
Common Name: Sarcopetal-15-en-3-one-12,13-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-12-9-16-20(11-12)8-5-13-18(2,3)15(21)6-7-19(13,4)14(20)10-17(22)23-16/h9,13-14,16H,5-8,10-11H2,1-4H3/t13-,14+,16+,19-,20+/m1/s1
InChIKey: InChIKey=HORXECAIWALMQC-FCDLBOHZSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - de Heluani, C.S., Catalan, C.A., Hernandez, L.R., Burgueno-Tapia, E., Joseph-Nathan, P. J Nat Prod (2000) 63, 222-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Sarcopetalanes; 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) | 38.4 |
| 2 (CH2) | 34.2 |
| 3 (C) | 215.9 |
| 4 (C) | 47.2 |
| 5 (CH) | 53.8 |
| 6 (CH2) | 19.8 |
| 7 (CH2) | 37.7 |
| 8 (C) | 41.4 |
| 9 (CH) | 49 |
| 10 (C) | 37.5 |
| 11 (CH2) | 27.7 |
| 12 (C) | 171.5 |
| 13 (C) | 147.2 |
| 14 (CH2) | 52.4 |
| 15 (CH) | 123.9 |
| 16 (CH) | 90.3 |
| 17 (CH3) | 16.7 |
| 18 (CH3) | 26.7 |
| 19 (CH3) | 22 |
| 20 (CH3) | 15.3 |
