Spektraris NMR
Achilleol A
Common Name: Achilleol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-23(2)13-11-16-25(4)18-12-17-24(3)14-9-10-15-26(5)19-21-28-27(6)20-22-29(31)30(28,7)8/h13-15,18,28-29,31H,6,9-12,16-17,19-22H2,1-5,7-8H3/b24-14+,25-18+,26-15+/t28-,29+/m1/s1
InChIKey: InChIKey=ANKPMKKGZZQDIC-HJSIMFEZSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
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) | 32.31 |
| 2 (CH2) | 33.18 |
| 3 (CH) | 17.4 |
| 4 (C) | 40.62 |
| 5 (CH) | 50.99 |
| 6 (C) | 147.33 |
| 7 (CH2) | 23.82 |
| 8 (CH2) | 38.7 |
| 9 (C) | 134.97 |
| 10 (CH) | 124.35 |
| 11 (CH2) | 26.76 |
| 12 (CH2) | 26.85 |
| 13 (CH) | 124.37 |
| 14 (C) | 135.18 |
| 15 (CH2) | 39.81 |
| 16 (CH2) | 28.33 |
| 17 (CH) | 124.45 |
| 18 (C) | 135.5 |
| 19 (CH2) | 39.84 |
| 20 (CH2) | 28.38 |
| 21 (CH) | 124.5 |
| 22 (C) | 131.29 |
| 23 (CH3) | 25.76 |
| 24 (CH3) | 17.75 |
| 25 (CH3) | 25.96 |
| 26 (CH3) | 26.76 |
| 27 (CH2) | 108.45 |
| 28 (CH3) | 15.58 |
| 29 (CH3) | 16.1 |
| 30 (CH3) | 16.1 |
