Spektraris NMR
Butyrospermyl acetate
Common Name: Butyrospermyl acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-32(9)26-13-14-27-29(5,6)28(34-23(4)33)17-18-30(27,7)25(26)16-20-31(24,32)8/h11,13,22,24-25,27-28H,10,12,14-20H2,1-9H3/t22-,24+,25+,27+,28+,30-,31+,32-/m1/s1
InChIKey: InChIKey=LJPRHQWBGLMFJJ-UIEOMSEISA-N
Formula: C32H52O2
Molecular Weight: 468.755278
Exact Mass: 468.396731
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) | 36.91 |
| 2 (CH2) | 24.28 |
| 3 (CH) | 81.22 |
| 4 (C) | 37.94 |
| 5 (CH) | 50.86 |
| 6 (CH2) | 23.84 |
| 7 (CH) | 117.65 |
| 8 (C) | 146.05 |
| 9 (CH) | 48.92 |
| 10 (C) | 34.91 |
| 11 (CH2) | 18.12 |
| 12 (CH2) | 33.85 |
| 13 (C) | 43.68 |
| 14 (C) | 51.35 |
| 15 (CH2) | 34.02 |
| 16 (CH2) | 28.48 |
| 17 (CH) | 53.31 |
| 18 (CH3) | 13.19 |
| 19 (CH3) | 22.1 |
| 20 (CH) | 35.82 |
| 21 (CH3) | 18.62 |
| 22 (CH2) | 35.26 |
| 23 (CH2) | 25.41 |
| 24 (CH) | 125.19 |
| 25 (C) | 130.9 |
| 26 (CH3) | 25.73 |
| 27 (CH3) | 17.68 |
| 28 (CH3) | 27.63 |
| 29 (CH3) | 15.9 |
| 30 (CH3) | 27.36 |
| 3a (C) | 170.94 |
| 3b (CH3) | 21.32 |
