Spektraris NMR
Sarcopetal-13,15-dien-3-one-12-oic acid
Common Name: Sarcopetal-13,15-dien-3-one-12-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-13-5-9-20(12-13)10-6-14-18(2,3)16(21)7-8-19(14,4)15(20)11-17(22)23/h5,9,12,14-15H,6-8,10-11H2,1-4H3,(H,22,23)/t14-,15+,19-,20-/m1/s1
InChIKey: InChIKey=PTNYLVIHHOOWHT-HRYATBACSA-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) | 37.7 |
| 2 (CH2) | 34.1 |
| 3 (C) | 216.7 |
| 4 (C) | 47.4 |
| 5 (CH) | 54.8 |
| 6 (CH2) | 22.7 |
| 7 (CH2) | 33.4 |
| 8 (C) | 60.4 |
| 9 (CH) | 49.3 |
| 10 (C) | 37.6 |
| 11 (CH2) | 29.8 |
| 12 (C) | 179.7 |
| 13 (C) | 139.4 |
| 14 (CH) | 135.8 |
| 15 (CH) | 140.5 |
| 16 (CH) | 139.6 |
| 17 (CH3) | 16 |
| 18 (CH3) | 26.4 |
| 19 (CH3) | 21.3 |
| 20 (CH3) | 14.8 |
