Spektraris NMR
Netzahualcoyondiol
Common Name: Netzahualcoyondiol
Synonyms: Netzahualcoyondiol
CAS Registry Number:
InChI: InChI=1S/C30H38O6/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/h8-9,12,21,24-25,32-34H,10-11,13-14H2,1-7H3/t21-,24+,25-,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=APGPWXZLGUDEGW-BTAXULIISA-N
Formula: C30H38O6
Molecular Weight: 494.620255
Exact Mass: 494.266839
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 |
| 2 (C) | 178.1 |
| 3 (C) | 146.2 |
| 4 (C) | 116.7 |
| 5 (C) | 127.7 |
| 6 (CH) | 134.5 |
| 7 (CH) | 121.5 |
| 8 (C) | 159 |
| 9 (C) | 44.5 |
| 10 (C) | 159.9 |
| 11 (CH2) | 37.4 |
| 12 (CH2) | 34.8 |
| 13 (C) | 42.4 |
| 14 (C) | 136 |
| 15 (C) | 126.6 |
| 16 (CH2) | 37.9 |
| 17 (C) | 38.9 |
| 18 (CH) | 38.7 |
| 19 (CH2) | 33.9 |
| 20 (C) | 47.4 |
| 21 (CH) | 69.2 |
| 22 (CH) | 79.4 |
| 23 (CH3) | 10.3 |
| 25 (CH3) | 29.5 |
| 26 (CH3) | 21.8 |
| 27 (CH3) | 24.5 |
| 28 (CH3) | 27 |
| 29 (C) | 179 |
| 30 (CH3) | 13.7 |
| 29a (CH3) | 52.7 |
