Spektraris NMR
Netzahualcoyone
Common Name: Netzahualcoyone
Synonyms: Netzahualcoyone
CAS Registry Number:
InChI: InChI=1S/C30H36O6/c1-15-13-29(5)21(14-30(6,26(35)36-7)25(34)24(29)33)28(4)11-10-27(3)18(22(15)28)9-8-17-16(2)23(32)20(31)12-19(17)27/h8-9,12,21,25,32,34H,10-11,13-14H2,1-7H3/t21-,25-,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=JBKXDADFFNVBTG-ZYWUOJASSA-N
Formula: C30H36O6
Molecular Weight: 492.604374
Exact Mass: 492.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jeller, A.H., Silva, D.H., Liao, L.M., Bolzani Vda, S., Furlan, M. Phytochemistry (2004) 65, 1977-82
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) | 120.1 |
| 2 (C) | 178 |
| 3 (C) | 146.3 |
| 4 (C) | 116.8 |
| 5 (C) | 128.2 |
| 6 (CH) | 134.1 |
| 7 (CH) | 122.2 |
| 8 (C) | 158.4 |
| 9 (C) | 44.1 |
| 10 (C) | 157.1 |
| 11 (CH2) | 37.1 |
| 12 (CH2) | 35.9 |
| 13 (C) | 42.1 |
| 14 (C) | 135.9 |
| 15 (C) | 126.3 |
| 16 (CH2) | 38.2 |
| 17 (C) | 48.9 |
| 18 (CH) | 46.3 |
| 19 (CH2) | 34.2 |
| 20 (C) | 50.3 |
| 21 (CH) | 74.4 |
| 22 (C) | 213.7 |
| 23 (CH3) | 10.3 |
| 25 (CH3) | 28.9 |
| 26 (CH3) | 21.9 |
| 27 (CH3) | 24.2 |
| 28 (CH3) | 22.4 |
| 29 (C) | 175.3 |
| 30 (CH3) | 13.6 |
| 29a (CH3) | 52.6 |
