Spektraris NMR
Netzahualcoyene
Common Name: Netzahualcoyene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O4/c1-17-15-27(3)10-11-28(4,26(33)34-7)16-23(27)30(6)13-12-29(5)20(24(17)30)9-8-19-18(2)25(32)22(31)14-21(19)29/h8-9,14,23,32H,10-13,15-16H2,1-7H3/t23-,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=CMKHWUBEVSIFHL-HVZOYMJXSA-N
Formula: C30H38O4
Molecular Weight: 462.621445
Exact Mass: 462.27701
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gonzalez A.G., Gonzalez C.M., Ferro E.A., Ravelo A.G., Dominguez X.A J Chem Res (1988) 20, 273
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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) | 121.7 |
| 2 (C) | 178.1 |
| 3 (C) | 116.9 |
| 4 (C) | 128.4 |
| 5 (C) | 146.4 |
| 6 (CH) | 134.9 |
| 7 (CH) | 120 |
| 8 (C) | 158.8 |
| 9 (C) | 42.7 |
| 10 (C) | 160.2 |
| 11 (CH2) | 34.1 |
| 12 (CH2) | 35.7 |
| 13 (C) | 44.6 |
| 14 (C) | 135.4 |
| 15 (C) | 127.7 |
| 16 (CH2) | 37.6 |
| 17 (C) | 43.2 |
| 18 (CH) | 44 |
| 19 (CH2) | 29.7 |
| 20 (C) | 33.9 |
| 21 (CH2) | 36.2 |
| 22 (CH2) | 37.9 |
| 23 (CH3) | 10.5 |
| 25 (CH3) | 29.5 |
| 27 (CH3) | 22 |
| 28 (CH3) | 19.9 |
| 29 (C) | 179.4 |
| 30 (CH3) | 31.6 |
| 15a (CH3) | 24 |
| 29a (CH3) | 51.9 |
