Spektraris NMR
Gibberosin I
Common Name: Gibberosin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O5/c1-15(14-27-17(3)25)7-9-21(28-18(4)26)23(5)13-19-16(2)8-10-22-24(6,29-22)12-11-20(19)23/h7,19-22H,2,8-14H2,1,3-6H3/b15-7+/t19-,20-,21?,22-,23-,24-/m0/s1
InChIKey: InChIKey=AEDRRDULRNJYII-RPZMHMENSA-N
Formula: C24H36O5
Molecular Weight: 404.540553
Exact Mass: 404.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, S.P., Su, J.H., Ahmed, A.F., Dai, C.F., Wu, Y.C., Sheu, J.H. Chem Pharm Bull (2007) 55, 1471-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xeniaphyllanes; 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) | 44.9 |
| 2 (CH2) | 27.6 |
| 3 (CH2) | 38.7 |
| 4 (C) | 59.6 |
| 5 (CH) | 63.9 |
| 6 (CH2) | 30.2 |
| 7 (CH2) | 29.4 |
| 8 (C) | 151.3 |
| 9 (CH) | 48 |
| 10 (CH2) | 34.8 |
| 11 (C) | 40.2 |
| 12 (CH) | 78.7 |
| 13 (CH2) | 27.8 |
| 14 (CH) | 125.9 |
| 15 (C) | 132.4 |
| 16 (CH2) | 62.9 |
| 17 (CH3) | 21.5 |
| 18 (CH3) | 15.7 |
| 19 (CH2) | 113.6 |
| 20 (CH3) | 17.1 |
| 12a (C) | 170.6 |
| 12b (CH3) | 20.9 |
| 16a (C) | 171 |
| 16b (CH3) | 21 |
