Spektraris NMR
Alisol F
Common Name: Alisol F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-16-13-19(25(33)27(4,5)34)35-20-15-30(8)17(23(16)20)14-18(31)24-28(6)11-10-22(32)26(2,3)21(28)9-12-29(24,30)7/h16,18-21,24-25,31,33-34H,9-15H2,1-8H3/t16-,18+,19+,20+,21+,24-,25-,28+,29+,30+/m1/s1
InChIKey: InChIKey=YNKJSQIXVXWFBK-IDKAZZHMSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hu, X.Y., Guo, Y.Q., Gao, W.Y., Chen, H.X., Zhang, T.J. Chin Chem Lett (2008) 19, 438-40
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) | 30.6 |
| 2 (CH2) | 33.8 |
| 3 (C) | 220 |
| 4 (C) | 46.9 |
| 5 (CH) | 48.1 |
| 6 (CH2) | 19.2 |
| 7 (CH2) | 33.5 |
| 8 (C) | 40.5 |
| 9 (CH) | 49.5 |
| 10 (C) | 36.9 |
| 11 (CH) | 70.3 |
| 12 (CH2) | 34.8 |
| 13 (C) | 136.9 |
| 14 (C) | 55.3 |
| 15 (CH2) | 39.4 |
| 16 (CH) | 80.1 |
| 17 (C) | 132.9 |
| 18 (CH3) | 24.3 |
| 19 (CH3) | 25.4 |
| 20 (CH) | 26.5 |
| 21 (CH3) | 18.2 |
| 22 (CH2) | 33.8 |
| 23 (CH) | 72.6 |
| 24 (CH) | 77.2 |
| 25 (C) | 73.3 |
| 26 (CH3) | 26.5 |
| 27 (CH3) | 26.9 |
| 28 (CH3) | 29.5 |
| 29 (CH3) | 19.9 |
| 30 (CH3) | 23.5 |
