Spektraris NMR
Polymaxenolide A
Common Name: Polymaxenolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H48O7/c1-19(2)21-8-9-23-31(38)29(42-32(23)39)13-20(3)12-27(37)24-17-36(43-28(14-21)30(24)33(40)41-7)11-10-25-26(36)18-34(4,5)15-22-16-35(22,25)6/h9,12,21-22,24-26,29,31,38H,1,8,10-11,13-18H2,2-7H3/b20-12+,23-9+/t21-,22+,24-,25-,26+,29+,31-,35-,36-/m1/s1
InChIKey: InChIKey=BCUZWFUZVOUXPM-WMGIBQLESA-N
Formula: C36H48O7
Molecular Weight: 592.763483
Exact Mass: 592.340004
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Kamel, H.N., Ding, Y., Li, X.C., Ferreira, D., Fronczek, F.R., Slattery, M. J Nat Prod (2009) 72, 900-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) | 40 |
| 2 (CH2) | 32.2 |
| 3 (C) | 167 |
| 4 (C) | 100.7 |
| 5 (CH) | 44.7 |
| 6 (C) | 200.9 |
| 7 (CH) | 124.6 |
| 8 (C) | 151.8 |
| 9 (CH2) | 41.8 |
| 10 (CH) | 83.9 |
| 11 (CH) | 73 |
| 12 (C) | 129.9 |
| 13 (CH) | 149.1 |
| 14 (CH2) | 29.2 |
| 15 (C) | 148 |
| 16 (CH2) | 110.8 |
| 17 (CH3) | 22.5 |
| 18 (C) | 168.8 |
| 19 (CH3) | 22.3 |
| 20 (C) | 168.8 |
| 1' (CH) | 51.8 |
| 2' (C) | 20 |
| 3' (CH2) | 23.5 |
| 4' (CH) | 22 |
| 5' (CH2) | 43.3 |
| 6' (C) | 33.6 |
| 7' (CH2) | 45.4 |
| 8' (CH) | 48.1 |
| 9' (C) | 88.8 |
| 10' (CH2) | 38.9 |
| 11' (CH2) | 25.3 |
| 12' (CH3) | 19.9 |
| 13' (CH3) | 24.4 |
| 14' (CH3) | 34.2 |
| 15' (CH2) | 28.4 |
| 18a (CH3) | 51 |
