Spektraris NMR
Glaucacetalin B
Common Name: Glaucacetalin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H50O10/c1-17-8-9-28(4)10-11-29(5)24-23(43-19(3)34)25(37)31-16-42-27(41-7)30(24,21(31)14-20(35)22(36)18(31)2)12-13-32(29,26(38)40-6)33(28,39)15-17/h18,20-25,27,35-37,39H,1,8-16H2,2-7H3/t18-,20+,21-,22+,23-,24+,25+,27?,28+,29+,30+,31+,32-,33-/m0/s1
InChIKey: InChIKey=UGTQLHVLEVRECG-JRTWGNLNSA-N
Formula: C33H50O10
Molecular Weight: 606.745372
Exact Mass: 606.340398
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nader, B.L., Cardoso Taketa, A.T., Iturriaga, G., Pereda-Miranda, R., Villarreal, M.L. Planta Med (2004) 70, 1174-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 25.1 |
| 2 (CH) | 69.8 |
| 3 (CH) | 75.6 |
| 4 (CH) | 38.8 |
| 5 (C) | 42.9 |
| 6 (CH) | 85.6 |
| 7 (CH) | 79 |
| 8 (CH) | 51.8 |
| 9 (C) | 40.8 |
| 10 (CH) | 41.6 |
| 11 (CH2) | 30.7 |
| 12 (CH2) | 23.4 |
| 13 (C) | 57.4 |
| 14 (C) | 43.3 |
| 15 (CH2) | 29.9 |
| 16 (CH2) | 34.7 |
| 17 (C) | 37.5 |
| 18 (C) | 78.1 |
| 19 (CH2) | 42.4 |
| 20 (C) | 144.7 |
| 21 (CH2) | 28.6 |
| 22 (CH2) | 35.7 |
| 23 (CH3) | 13.8 |
| 24 (CH2) | 55.2 |
| 25 (CH) | 101.2 |
| 26 (CH3) | 21.7 |
| 27 (C) | 175.7 |
| 28 (CH3) | 25.5 |
| 29 (CH2) | 108.9 |
| 7a (C) | 173.9 |
| 7b (CH3) | 22.2 |
| 25a (CH3) | 55.5 |
| 27a (CH3) | 51.4 |
