Spektraris NMR
Achilleol B
Common Name: Achilleol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-21(12-14-25-23(3)13-15-27(31)29(25,6)7)10-9-11-24-22(2)16-17-30(8)19-18-28(4,5)20-26(24)30/h10,25-27,31H,3,9,11-20H2,1-2,4-8H3/b21-10+/t25-,26+,27+,30+/m1/s1
InChIKey: InChIKey=OPDQSNQDIGJUIR-FEHKDBFISA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Arteaga, J.F., Domingo, V., Quilez del Moral, J.F., Barrero, A.F. Org Lett (2008) 10, 1723-6
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) | 33 |
| 2 (CH2) | 32.2 |
| 3 (CH) | 77.3 |
| 4 (C) | 40.6 |
| 5 (CH) | 51 |
| 6 (CH2) | 23.7 |
| 7 (CH2) | 38.6 |
| 8 (C) | 135.2 |
| 9 (CH) | 124.6 |
| 10 (C) | 147.3 |
| 11 (CH2) | 29.5 |
| 12 (CH2) | 31.6 |
| 13 (C) | 133.7 |
| 14 (C) | 123.9 |
| 15 (CH2) | 26.6 |
| 16 (CH2) | 27.1 |
| 17 (C) | 31.4 |
| 18 (CH) | 42.3 |
| 19 (CH2) | 43 |
| 20 (C) | 31 |
| 21 (CH2) | 34.6 |
| 22 (CH2) | 36.5 |
| 23 (CH3) | 25.8 |
| 24 (CH3) | 15.4 |
| 25 (CH2) | 108.3 |
| 26 (CH3) | 16 |
| 27 (CH3) | 18.6 |
| 28 (CH3) | 26.9 |
| 29 (CH3) | 24.2 |
| 30 (CH3) | 33.2 |
