Spektraris NMR
Norokadanone
Common Name: Norokadanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H66O11/c1-25-21-35(52-43(24-25)36(46)12-11-32(51-43)23-29(5)44)26(2)9-10-31-14-18-42(50-31)19-15-34-40(54-42)37(47)30(6)39(49-34)33(45)22-28(4)38-27(3)13-17-41(53-38)16-7-8-20-48-41/h9-10,24,26-28,31-40,45-47H,6-8,11-23H2,1-5H3/b10-9+/t26-,27-,28+,31+,32+,33+,34?,35+,36-,37-,38?,39+,40-,41+,42?,43-/m1/s1
InChIKey: InChIKey=NJOGICJCSWVJKS-RGROMOHJSA-N
Formula: C43H66O11
Molecular Weight: 758.979188
Exact Mass: 758.460513
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fernandez, J.J., Suarez-Gomez, B., Souto, M.L., Norte, M. J Nat Prod (2003) 66, 1294-6
Species:
Notes: Family : Polyketides, Type : Polycyclic-ethers; 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 (CH3) | 30.9 |
| 2 (C) | 207.2 |
| 3 (CH2) | 49.1 |
| 4 (CH) | 65.8 |
| 5 (CH2) | 30.2 |
| 6 (CH2) | 27.3 |
| 7 (CH) | 71.7 |
| 8 (C) | 95.8 |
| 9 (CH) | 122.9 |
| 10 (C) | 138.7 |
| 11 (CH2) | 33 |
| 12 (CH) | 71.2 |
| 13 (CH) | 41.9 |
| 14 (CH) | 136.9 |
| 15 (CH) | 131.5 |
| 16 (CH) | 79.7 |
| 17 (CH2) | 30.7 |
| 18 (CH2) | 37.5 |
| 19 (C) | 105.5 |
| 20 (CH2) | 32.2 |
| 21 (CH2) | 26.9 |
| 22 (CH) | 70.3 |
| 23 (CH) | 77.1 |
| 24 (CH) | 70.7 |
| 25 (C) | 143.1 |
| 26 (CH) | 85.1 |
| 27 (CH) | 64.7 |
| 28 (CH2) | 35.6 |
| 29 (CH) | 31.1 |
| 30 (CH) | 75.4 |
| 31 (CH) | 27.6 |
| 32 (CH2) | 26.5 |
| 33 (CH2) | 30.6 |
| 34 (C) | 95.5 |
| 35 (CH2) | 36.4 |
| 36 (CH2) | 23.5 |
| 37 (CH2) | 25 |
| 38 (CH2) | 61 |
| 39 (CH3) | 10.8 |
| 40 (CH3) | 16.2 |
| 41 (CH2) | 113 |
| 42 (CH3) | 16.2 |
| 43 (CH3) | 22.6 |
