Spektraris NMR
Glabcensin J
Common Name: Glabcensin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O6/c1-10-12-6-13(24)16-21(5)8-14(25)19(27)20(3,4)17(21)15(28-11(2)23)9-22(16,7-12)18(10)26/h12-17,19,24-25,27H,1,6-9H2,2-5H3/t12-,13+,14+,15+,16+,17-,19+,21+,22+/m1/s1
InChIKey: InChIKey=CEJZNGWWKKFKHN-NDIRAWLYSA-N
Formula: C22H32O6
Molecular Weight: 392.486723
Exact Mass: 392.219889
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhao, Q.S., Tian, J., Yue, J.M., Lin, Z.W., Sun, H.D. J Nat Prod (1997) 60, 1075-81
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 (CH2) | 43.44 |
| 2 (CH) | 65.34 |
| 3 (CH) | 78.32 |
| 4 (C) | 39.11 |
| 5 (CH) | 50.09 |
| 6 (CH) | 68.83 |
| 7 (CH2) | 41.6 |
| 8 (C) | 49.3 |
| 9 (CH) | 64.28 |
| 10 (C) | 40 |
| 11 (CH) | 65.65 |
| 12 (CH2) | 41.6 |
| 13 (CH) | 38.24 |
| 14 (CH2) | 38.85 |
| 15 (C) | 203 |
| 16 (C) | 151.42 |
| 17 (CH2) | 111.14 |
| 18 (CH3) | 28.1 |
| 19 (CH3) | 23.43 |
| 20 (CH3) | 20.2 |
| 6a (C) | 170.59 |
| 6b (CH3) | 21 |
