Spektraris NMR
Polymaxenolide B
Common Name: Polymaxenolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H48O6/c1-20(2)22-8-9-23-14-25(41-32(23)38)12-21(3)13-29(37)26-18-36(42-30(15-22)31(26)33(39)40-7)11-10-27-28(36)19-34(4,5)16-24-17-35(24,27)6/h13-14,22,24-28H,1,8-12,15-19H2,2-7H3/b21-13-/t22-,24+,25+,26+,27-,28+,35-,36-/m1/s1
InChIKey: InChIKey=RNDRJLZEYYAQJB-OYRHEWSHSA-N
Formula: C36H48O6
Molecular Weight: 576.764078
Exact Mass: 576.345089
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) | 46.2 |
| 2 (CH2) | 40.7 |
| 3 (C) | 171.2 |
| 4 (C) | 100.5 |
| 5 (CH) | 46.9 |
| 6 (C) | 200.8 |
| 7 (CH) | 122.1 |
| 8 (C) | 150.1 |
| 9 (CH2) | 39.8 |
| 10 (CH) | 77.8 |
| 11 (CH) | 148 |
| 12 (C) | 135.4 |
| 13 (CH2) | 22.6 |
| 14 (CH2) | 28.8 |
| 15 (C) | 147.7 |
| 16 (CH2) | 112.5 |
| 17 (CH3) | 19.8 |
| 18 (C) | 167.2 |
| 19 (CH3) | 22.1 |
| 20 (C) | 173.2 |
| 1' (CH) | 49.7 |
| 2' (C) | 20.4 |
| 3' (CH2) | 24 |
| 4' (CH) | 22.5 |
| 5' (CH2) | 43.8 |
| 6' (C) | 33.9 |
| 7' (CH2) | 44 |
| 8' (CH) | 47.9 |
| 9' (C) | 88.6 |
| 10' (CH2) | 35.8 |
| 11' (CH2) | 24.4 |
| 12' (CH3) | 20 |
| 13' (CH3) | 24.4 |
| 14' (CH3) | 34.4 |
| 15' (CH2) | 30.1 |
| 18a (CH3) | 51 |
