Spektraris NMR
Adenolin B
Common Name: Adenolin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O8/c1-10-12-6-13(24)15-20-9-30-22(28,21(15,7-12)17(10)26)18(27)16(20)19(3,5-4-14(20)25)8-29-11(2)23/h12-16,18,24-25,27-28H,1,4-9H2,2-3H3/t12-,13-,14+,15+,16-,18+,19+,20+,21+,22-/m1/s1
InChIKey: InChIKey=WCTFNFXLZNQINE-FCGYEXDISA-N
Formula: C22H30O8
Molecular Weight: 422.469652
Exact Mass: 422.194068
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Sun, H.D., Lin, Z.W., Niu, F.D., Lin, L.Z., Chai, H.B., Pezzuto, J.M., Cordell, G.A. Phytochemistry (1995) 38, 437-42
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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 (CH) | 73.2 |
| 2 (CH2) | 29 |
| 3 (CH2) | 33.8 |
| 4 (C) | 37.6 |
| 5 (CH) | 62.3 |
| 6 (CH) | 74.2 |
| 7 (C) | 96.4 |
| 8 (C) | 59.9 |
| 9 (CH) | 54.8 |
| 10 (C) | 43.1 |
| 11 (CH) | 67 |
| 12 (CH2) | 39.4 |
| 13 (CH) | 34.8 |
| 14 (CH2) | 27.2 |
| 15 (C) | 211.4 |
| 16 (C) | 154.3 |
| 17 (CH2) | 115.7 |
| 18 (CH3) | 27.9 |
| 19 (CH2) | 66.6 |
| 20 (CH2) | 66.4 |
| 19a (C) | 170.8 |
| 19b (CH3) | 20.8 |
