Spektraris NMR
Butyrospermol
Common Name: Butyrospermol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,12,21-23,25-26,31H,9,11,13-19H2,1-8H3/t21-,22+,23+,25+,26+,28-,29+,30-/m1/s1
InChIKey: InChIKey=DICCPNLDOZNSML-XGKJEQFASA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - de Pascual Teresa, J., Urones, J.G., Marcos, I.S., Basabe, P., Sexmero Cuadrado, M.J., Fernandez Moro, R. Phytochemistry (1987) 26, 1767-76
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Euphanes; 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 (CH2) | 37.32 |
| 2 (CH2) | 27.81 |
| 3 (CH) | 79.32 |
| 4 (C) | 39.03 |
| 5 (CH) | 50.77 |
| 6 (CH2) | 24.03 |
| 7 (CH) | 117.88 |
| 8 (C) | 145.94 |
| 9 (CH) | 49.05 |
| 10 (C) | 35.04 |
| 11 (CH2) | 18.23 |
| 12 (CH2) | 33.93 |
| 13 (C) | 43.65 |
| 14 (C) | 51.35 |
| 15 (CH2) | 34.05 |
| 16 (CH2) | 28.49 |
| 17 (CH) | 53.31 |
| 18 (CH3) | 13.17 |
| 19 (CH3) | 22.13 |
| 20 (CH) | 35.84 |
| 21 (CH3) | 18.63 |
| 22 (CH2) | 35.28 |
| 23 (CH2) | 25.42 |
| 24 (CH) | 125.22 |
| 25 (C) | 130.89 |
| 26 (CH3) | 25.73 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 27.67 |
| 29 (CH3) | 14.77 |
| 30 (CH3) | 27.37 |
