Spektraris NMR
alisol O
Common Name: alisol O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O5/c1-18-16-21(27(29(5,6)35)36-19(2)33)37-22-17-32(9)20(26(18)22)10-11-24-30(7)14-13-25(34)28(3,4)23(30)12-15-31(24,32)8/h10-11,18,21-24,27,35H,12-17H2,1-9H3/t18-,21+,22+,23+,24+,27-,30+,31+,32+/m1/s1
InChIKey: InChIKey=YDONEKYGVGENMF-XEDHJYNPSA-N
Formula: C32H48O5
Molecular Weight: 512.72173
Exact Mass: 512.350175
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jiang, Z.Y., Zhang, X.M., Zhang, F.X., Liu, N., Zhao, F., Zhou, J., Chen, J.J. Planta Med (2006) 72, 951-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 31.2 |
| 2 (CH2) | 33.5 |
| 3 (C) | 219.5 |
| 4 (C) | 47.2 |
| 5 (CH) | 46.4 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 32.3 |
| 8 (C) | 38.1 |
| 9 (CH) | 47.4 |
| 10 (C) | 35.9 |
| 11 (CH) | 120.9 |
| 12 (CH) | 130.2 |
| 13 (C) | 139.1 |
| 14 (C) | 55.1 |
| 15 (CH2) | 37 |
| 16 (CH) | 81 |
| 17 (C) | 134.3 |
| 18 (CH3) | 22.6 |
| 19 (CH3) | 24.7 |
| 20 (CH) | 27.3 |
| 21 (CH3) | 17.3 |
| 22 (CH2) | 35.8 |
| 23 (CH) | 72.8 |
| 24 (CH) | 77.3 |
| 25 (C) | 72.8 |
| 26 (CH3) | 26.6 |
| 27 (CH3) | 27.9 |
| 28 (CH3) | 29.3 |
| 29 (CH3) | 19.2 |
| 30 (CH3) | 24.6 |
| 24a (C) | 171.1 |
| 24b (CH3) | 20.7 |
