Spektraris NMR
Butyraceol
Common Name: Butyraceol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-25(2)12-13-26(3)14-15-29(6)19(20(26)16-25)8-9-23-27(4)17-21(32)24(33)28(5,18-31)22(27)10-11-30(23,29)7/h8,10,20-21,23-24,31-33H,9,11-18H2,1-7H3/t20-,21-,23+,24-,26+,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=FZJRQUFZRBDJSF-ABSTVVJQSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Misra G. , Banerjee R., Nigam S. K. Phytochemistry (1991) 30, 2087
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 41.7 |
| 2 (CH) | 67.4 |
| 3 (CH) | 68.4 |
| 4 (C) | 40.3 |
| 5 (C) | 140.8 |
| 6 (CH) | 115.6 |
| 7 (CH2) | 34.6 |
| 8 (C) | 40.5 |
| 9 (CH) | 47.6 |
| 10 (C) | 41.4 |
| 11 (CH2) | 20.9 |
| 12 (CH) | 117.6 |
| 13 (C) | 144.4 |
| 14 (C) | 41.9 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 21.5 |
| 17 (C) | 35.8 |
| 18 (CH) | 42.8 |
| 19 (CH2) | 43.1 |
| 20 (C) | 31.8 |
| 21 (CH2) | 34.8 |
| 22 (CH2) | 36.3 |
| 23 (CH2) | 71.2 |
| 24 (CH3) | 16.8 |
| 25 (CH3) | 16.8 |
| 26 (CH3) | 19.5 |
| 27 (CH3) | 22.3 |
| 28 (CH3) | 22.3 |
| 29 (CH3) | 31 |
| 30 (CH3) | 21.3 |
