Spektraris NMR
Balaenonol
Common Name: Balaenonol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H34O4/c1-14-11-21-27(5)10-9-26(4)18(8-7-17-16(3)24(31)20(29)12-19(17)26)22(27)15(2)13-28(21,6)25(32)23(14)30/h7-8,12,14,21,23,30-31H,9-11,13H2,1-6H3/t14-,21+,23-,26-,27+,28-/m1/s1
InChIKey: InChIKey=ISDNLLFRTOZJTF-FOUUERAESA-N
Formula: C28H34O4
Molecular Weight: 434.56821
Exact Mass: 434.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fernando H.C., Gunatilaka A.A.L., Tezuka Y., Kikuchi T. Tetrahedron (1989) 45, 5867
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 |
| 2 (C) | 178.2 |
| 3 (C) | 146.4 |
| 4 (C) | 116.7 |
| 5 (C) | 128.2 |
| 6 (CH) | 134.1 |
| 7 (CH) | 122.2 |
| 8 (C) | 159.6 |
| 9 (C) | 44.2 |
| 10 (C) | 157.6 |
| 11 (CH2) | 37.3 |
| 12 (CH2) | 36.1 |
| 13 (C) | 42.1 |
| 14 (C) | 136.4 |
| 15 (C) | 126.5 |
| 16 (CH2) | 38.4 |
| 17 (C) | 49.4 |
| 18 (CH) | 46.1 |
| 19 (CH2) | 30.6 |
| 20 (CH) | 35.9 |
| 21 (CH) | 73.9 |
| 22 (C) | 215.3 |
| 23 (CH3) | 10.4 |
| 25 (CH3) | 28.9 |
| 26 (CH3) | 22 |
| 27 (CH3) | 24.3 |
| 28 (CH3) | 22.3 |
| 30 (CH3) | 11.5 |
