Spektraris NMR
Neoglabrescin B triacetate
Common Name: Neoglabrescin B triacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O11/c1-11-8-17-25(32)12(2)9-16(30)18-19(25)21(37-23(18,6)7)24(31,10-34-13(3)27)22(36-15(5)29)26(17,33)20(11)35-14(4)28/h8,12,17-22,31-33H,9-10H2,1-7H3/t12-,17+,18-,19-,20+,21-,22-,24+,25+,26-/m1/s1
InChIKey: InChIKey=COBYAEPTNGHHJM-BYEAZRTMSA-N
Formula: C26H36O11
Molecular Weight: 524.558455
Exact Mass: 524.225762
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) | 128.8 |
| 2 (C) | 145.5 |
| 3 (CH) | 81.6 |
| 4 (C) | 81.4 |
| 5 (CH) | 83.3 |
| 6 (C) | 84.2 |
| 7 (CH) | 79.2 |
| 8 (CH) | 61.4 |
| 9 (C) | 73.8 |
| 10 (CH) | 51.8 |
| 11 (CH) | 42.8 |
| 12 (CH2) | 49.6 |
| 13 (C) | 209.3 |
| 14 (CH) | 58.8 |
| 15 (C) | 84.2 |
| 16 (CH3) | 30.5 |
| 17 (CH3) | 26 |
| 18 (CH3) | 17.9 |
| 19 (CH3) | 13.6 |
| 20 (CH2) | 64.9 |
| 3a (C) | 173.5 |
| 3b (CH3) | 21.8 |
| 5a (C) | 172.2 |
| 5b (CH3) | 21.5 |
| 20a (C) | 172.8 |
| 20b (CH3) | 21.2 |
