Spektraris NMR
Zythiostromolide monoacetate
Common Name: Zythiostromolide monoacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-6-14-12(2)7-8-16-15(14)11-18-22(25)20(16,4)10-9-17(26-13(3)23)21(22,5)19(24)27-18/h6,14-18,25H,1-2,7-11H2,3-5H3/t14-,15-,16-,17+,18+,20+,21+,22-/m0/s1
InChIKey: InChIKey=AHMSSFUETQXFKM-FROQVFKKSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Riehl, C.A., Pinto, A.C. Phytochemistry (2000) 53, 917-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cleistanthanes; 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) | 31.1 |
| 2 (CH2) | 23.9 |
| 3 (CH) | 70.7 |
| 4 (C) | 52 |
| 5 (C) | 80.4 |
| 6 (CH) | 80.2 |
| 7 (CH2) | 27.4 |
| 8 (CH) | 38.3 |
| 9 (CH) | 38.9 |
| 10 (C) | 38.4 |
| 11 (CH2) | 27.9 |
| 12 (CH2) | 32.2 |
| 13 (C) | 152.9 |
| 14 (CH) | 55.3 |
| 15 (CH) | 138.4 |
| 16 (CH2) | 117.8 |
| 17 (CH2) | 107.6 |
| 18 (CH3) | 12.8 |
| 19 (C) | 184.3 |
| 20 (CH3) | 21 |
| 3a (C) | 171.8 |
| 3b (CH3) | 20 |
