Spektraris NMR
Neoglabrescin A tetraacetate
Common Name: Neoglabrescin A tetraacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H32O11/c1-11-7-19-24(31)12(2)8-17(30)9-18(24)21-23(35-16(6)29,10-32-13(3)26)22(34-15(5)28)25(19,36-21)20(11)33-14(4)27/h7,12,18-22,31H,8-10H2,1-6H3/t12-,18-,19+,20+,21-,22-,23+,24-,25-/m1/s1
InChIKey: InChIKey=ZNTFJOKRJIKEJD-OGMYRXJJSA-N
Formula: C25H32O11
Molecular Weight: 508.515956
Exact Mass: 508.194462
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tchinda, A.T., Tsopmo, A., Tene, M., Kamnaing, P., Ngnokam, D., Tane, P., Ayafor, J.F., Connolly, J.D., Farrugia, L.J. Phytochemistry (2003) 64, 575-81
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Daphnanes; 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) | 124.2 |
| 2 (C) | 141.5 |
| 3 (CH) | 77.3 |
| 4 (C) | 94.3 |
| 5 (CH) | 78.4 |
| 6 (C) | 88.7 |
| 7 (CH) | 76.9 |
| 8 (CH) | 45.8 |
| 9 (C) | 70.7 |
| 10 (CH) | 55.8 |
| 11 (CH) | 39.5 |
| 12 (CH2) | 45.8 |
| 13 (C) | 208.8 |
| 14 (CH2) | 39.5 |
| 18 (CH3) | 14.3 |
| 19 (CH3) | 13.6 |
| 20 (CH2) | 62.7 |
| 3a (C) | 170.8 |
| 3b (CH3) | 21.6 |
| 5a (C) | 170.7 |
| 5b (CH3) | 21.2 |
| 6a (C) | 170.5 |
| 6b (CH3) | 21.1 |
| 20a (C) | 170 |
| 20b (CH3) | 21.1 |
