Spektraris NMR
Balaenol
Common Name: Balaenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O3/c1-15-11-23-26(4,14-22(15)30)13-16(2)24-19-8-7-18-17(3)25(31)21(29)12-20(18)27(19,5)9-10-28(23,24)6/h7-8,12,15,22-23,30-31H,9-11,13-14H2,1-6H3/t15-,22+,23-,26+,27-,28+/m1/s1
InChIKey: InChIKey=BPKSFYCMZKFDCC-DEVRQHFYSA-N
Formula: C28H36O3
Molecular Weight: 420.584687
Exact Mass: 420.266445
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 (C) | 178.1 |
| 3 (C) | 146.3 |
| 4 (C) | 116.8 |
| 5 (C) | 128.2 |
| 6 (CH) | 134.7 |
| 7 (CH) | 121.8 |
| 8 (C) | 160.1 |
| 9 (C) | 44.5 |
| 10 (C) | 159.6 |
| 11 (CH2) | 37.5 |
| 12 (CH2) | 36 |
| 13 (C) | 42.7 |
| 14 (C) | 135.8 |
| 15 (C) | 127.7 |
| 16 (CH2) | 39.4 |
| 17 (C) | 31.6 |
| 18 (CH) | 42.3 |
| 19 (CH2) | 32.2 |
| 20 (CH) | 34.5 |
| 21 (CH) | 68.3 |
| 22 (CH2) | 43.4 |
| 23 (CH3) | 10.4 |
| 25 (CH3) | 29.3 |
| 26 (CH3) | 10.6 |
| 27 (CH3) | 22 |
| 28 (CH3) | 24.3 |
| 30 (CH3) | 31.6 |
