Spektraris NMR
12-acetoxyPseudopterolide
Common Name: 12-acetoxyPseudopterolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O5/c1-11(2)16-10-17-13(5)7-19(26-17)21(12(3)4)20-9-15(22(24)27-20)8-18(16)25-14(6)23/h7,9,16,18,20-21H,1,3,8,10H2,2,4-6H3/t16-,18-,20-,21+/m1/s1
InChIKey: InChIKey=YHFDXCQPYPEFIT-DWIQEWEKSA-N
Formula: C22H26O5
Molecular Weight: 370.439674
Exact Mass: 370.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ata, A., Kerr, R.G. Heterocycles (2000) 53, 717-22
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pseudopteranes; 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 (CH) | 42.8 |
| 2 (CH2) | 32.4 |
| 3 (C) | 146.6 |
| 4 (C) | 114.4 |
| 5 (CH) | 112.1 |
| 6 (C) | 152 |
| 7 (CH) | 49.6 |
| 8 (CH) | 81.6 |
| 9 (CH) | 147.1 |
| 10 (C) | 130.1 |
| 11 (CH2) | 34.9 |
| 12 (CH) | 72.6 |
| 13 (C) | 142 |
| 14 (CH2) | 112.1 |
| 15 (CH3) | 18.5 |
| 16 (CH3) | 10.1 |
| 17 (C) | 145.8 |
| 18 (CH2) | 122 |
| 19 (CH3) | 22 |
| 20 (C) | 176 |
| 12a (C) | 170.1 |
| 12b (CH3) | 22.1 |
