Spektraris NMR
1R,5R,10S,11R,1′R, 2′R, 4′S, 8′S, 9′R-7E-polymaxenolide
Common Name: 1R,5R,10S,11R,1′R, 2′R, 4′S, 8′S, 9′R-7E-polymaxenolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H50O8/c1-20(2)23-9-10-25-33(44-22(4)39)31(45-34(25)41)14-21(3)13-29(40)26-18-38(46-30(15-23)32(26)35(42)43-8)12-11-27-28(38)19-36(5,6)16-24-17-37(24,27)7/h10,13,23-24,26-28,31,33H,1,9,11-12,14-19H2,2-8H3/b21-13+,25-10+/t23-,24+,26+,27-,28+,31+,33-,37-,38-/m1/s1
InChIKey: InChIKey=GGBQHLMSHYDTPK-UHWVEYOTSA-N
Formula: C38H50O8
Molecular Weight: 634.800241
Exact Mass: 634.350569
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) | 48.9 |
| 2 (CH2) | 42.2 |
| 3 (C) | 170.9 |
| 4 (C) | 102.7 |
| 5 (CH) | 47.1 |
| 6 (C) | 200 |
| 7 (CH) | 124.3 |
| 8 (C) | 152.2 |
| 9 (CH2) | 45.4 |
| 10 (CH) | 78.7 |
| 11 (CH) | 75.4 |
| 12 (C) | 125.7 |
| 13 (CH) | 152.2 |
| 14 (CH2) | 30.9 |
| 15 (C) | 150 |
| 16 (CH2) | 110.4 |
| 17 (CH3) | 20.8 |
| 18 (C) | 166.9 |
| 19 (CH3) | 19.2 |
| 20 (C) | 167 |
| 1' (CH) | 50.6 |
| 2' (C) | 20.1 |
| 3' (CH2) | 24.7 |
| 4' (CH) | 22.5 |
| 5' (CH2) | 43.6 |
| 6' (C) | 33.9 |
| 7' (CH2) | 45 |
| 8' (CH) | 47.7 |
| 9' (C) | 89.1 |
| 10' (CH2) | 35.4 |
| 11' (CH2) | 23.8 |
| 12' (CH3) | 20.2 |
| 13' (CH3) | 24.3 |
| 14' (CH3) | 34.3 |
| 15' (CH2) | 34.9 |
| 11a (C) | 170.2 |
| 11b (CH3) | 51.3 |
| 18a (CH3) | 21.3 |
