Spektraris NMR
11,25-Anhydroalisol F.
Common Name: 11,25-Anhydroalisol F.
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O3/c1-17(2)26(32)20-15-18(3)25-19-9-10-23-28(6)13-12-24(31)27(4,5)22(28)11-14-29(23,7)30(19,8)16-21(25)33-20/h9-10,18,20-23,26,32H,1,11-16H2,2-8H3/t18-,20+,21+,22+,23-,26+,28+,29+,30+/m1/s1
InChIKey: InChIKey=CEQNFMDZSGCORF-SJLQHYCLSA-N
Formula: C30H44O3
Molecular Weight: 452.669685
Exact Mass: 452.329045
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) | 32.2 |
| 2 (CH2) | 33.5 |
| 3 (C) | 220 |
| 4 (C) | 47.1 |
| 5 (CH) | 46.3 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 31.1 |
| 8 (C) | 38.1 |
| 9 (CH) | 47.2 |
| 10 (C) | 35.9 |
| 11 (CH) | 129.7 |
| 12 (CH) | 121.1 |
| 13 (C) | 138.3 |
| 14 (C) | 55 |
| 15 (CH2) | 36.9 |
| 16 (CH) | 80.5 |
| 17 (C) | 135.7 |
| 18 (CH3) | 24.7 |
| 19 (CH3) | 24.8 |
| 20 (CH) | 27.2 |
| 21 (CH3) | 17.8 |
| 22 (CH2) | 35.9 |
| 23 (CH) | 74 |
| 24 (CH) | 79.3 |
| 25 (C) | 143.7 |
| 26 (CH2) | 114.7 |
| 27 (CH3) | 17.5 |
| 28 (CH3) | 29.3 |
| 29 (CH3) | 19.2 |
| 30 (CH3) | 22.6 |
