Spektraris NMR
3-acetyl-Achilleol A
Common Name: 3-acetyl-Achilleol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O2/c1-24(2)14-12-17-26(4)19-13-18-25(3)15-10-11-16-27(5)20-22-30-28(6)21-23-31(32(30,8)9)34-29(7)33/h14-16,19,30-31H,6,10-13,17-18,20-23H2,1-5,7-9H3/b25-15+,26-19+,27-16+/t30-,31+/m1/s1
InChIKey: InChIKey=ZHBYZQNJZCBYGI-PCANACJSSA-N
Formula: C32H52O2
Molecular Weight: 468.755278
Exact Mass: 468.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Barrero, A.F., Alvarez-Manzaneda R.E.J., Alvarez-Manzaneda R.R. Tetrahedron Lett (1989) 30, 3351-2
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Achillanes; 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) | 31.66 |
| 2 (CH2) | 28.73 |
| 3 (CH) | 78.71 |
| 4 (C) | 39.26 |
| 5 (CH) | 51.4 |
| 6 (C) | 146.89 |
| 7 (CH2) | 24.01 |
| 8 (CH2) | 38.53 |
| 9 (C) | 134.98 |
| 10 (CH) | 124.35 |
| 11 (CH2) | 26.86 |
| 12 (CH2) | 26.76 |
| 13 (CH) | 124.35 |
| 14 (C) | 135.24 |
| 15 (CH2) | 39.83 |
| 16 (CH2) | 28.35 |
| 17 (CH) | 124.51 |
| 18 (C) | 135.36 |
| 19 (CH2) | 39.83 |
| 20 (CH2) | 28.35 |
| 21 (CH) | 124.51 |
| 22 (C) | 131.33 |
| 23 (CH3) | 25.78 |
| 24 (CH3) | 17.77 |
| 25 (CH3) | 26.2 |
| 26 (CH3) | 26.2 |
| 27 (CH2) | 109.34 |
| 28 (CH3) | 17.88 |
| 29 (CH3) | 16.14 |
| 30 (CH3) | 16.09 |
| 3a (C) | 170.78 |
| 3b (CH3) | 21.4 |
