Spektraris NMR
Netzahualcoyol dimethyl ester
Common Name: Netzahualcoyol dimethyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H38O6/c1-17-15-31(27(35)37-7)13-10-28(3,26(34)36-6)16-23(31)30(5)12-11-29(4)20(24(17)30)9-8-19-18(2)25(33)22(32)14-21(19)29/h8-9,14,23,33H,10-13,15-16H2,1-7H3/t23-,28+,29+,30-,31-/m0/s1
InChIKey: InChIKey=WQDGHLLXPSFBPD-HZXOCXHVSA-N
Formula: C31H38O6
Molecular Weight: 506.630991
Exact Mass: 506.266839
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) | 121.6 |
| 2 (C) | 178.2 |
| 3 (C) | 117.3 |
| 4 (C) | 127.7 |
| 5 (C) | 146.4 |
| 6 (CH) | 135.3 |
| 7 (CH) | 120 |
| 8 (C) | 159.6 |
| 9 (C) | 41.2 |
| 10 (C) | 160.3 |
| 11 (CH2) | 35.5 |
| 12 (CH2) | 35.9 |
| 13 (C) | 44.8 |
| 14 (C) | 134.8 |
| 15 (C) | 112 |
| 16 (CH2) | 37.2 |
| 17 (C) | 54.1 |
| 18 (CH) | 48.5 |
| 19 (CH2) | 39.2 |
| 20 (C) | 49.3 |
| 21 (CH2) | 77.3 |
| 22 (CH2) | 29.8 |
| 23 (CH3) | 10.5 |
| 25 (CH3) | 29.2 |
| 27 (CH3) | 22.6 |
| 28 (C) | 174.2 |
| 29 (C) | 175.3 |
| 30 (CH3) | 22 |
| 15a (CH3) | 24.3 |
| 28a (CH3) | 52.3 |
| 29a (CH3) | 52.3 |
