Spektraris NMR
3,22b-dihydroxy-24,29-dinor-l(10)3,5-friedelatriene-2,7,21-trione
Common Name: 3,22b-dihydroxy-24,29-dinor-l(10)3,5-friedelatriene-2,7,21-trione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O5/c1-14-11-20-26(4,24(33)21(14)31)8-10-28(6)23-19(30)12-16-15(2)22(32)18(29)13-17(16)25(23,3)7-9-27(20,28)5/h12-14,20,23-24,32-33H,7-11H2,1-6H3/t14-,20-,23?,24-,25+,26-,27+,28-/m1/s1
InChIKey: InChIKey=MTMIHLVKASFQPN-ZGQPBDLLSA-N
Formula: C28H36O5
Molecular Weight: 452.583497
Exact Mass: 452.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chavez, H., Valdivia, E., Estevez-Braun, A., Ravelo, A.G. Tetrahedron (1998) 54, 13579-90
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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) | 119.65 |
| 2 (C) | 181.12 |
| 3 (C) | 146.63 |
| 4 (C) | 117.3 |
| 5 (C) | 131.81 |
| 6 (CH) | 146.63 |
| 7 (C) | 200 |
| 8 (CH) | 57.53 |
| 9 (C) | 41.64 |
| 10 (C) | 161.77 |
| 11 (CH2) | 31.65 |
| 12 (CH2) | 28.65 |
| 13 (C) | 40 |
| 14 (C) | 39.24 |
| 15 (CH2) | 27.01 |
| 16 (CH2) | 29.22 |
| 17 (C) | 44.89 |
| 18 (CH) | 44.45 |
| 19 (CH2) | 31.9 |
| 20 (CH) | 41.16 |
| 21 (C) | 213.74 |
| 22 (CH) | 77.19 |
| 23 (CH3) | 10.4 |
| 25 (CH3) | 29.68 |
| 26 (CH3) | 15.3 |
| 27 (CH3) | 19 |
| 28 (CH3) | 25.01 |
| 30 (CH3) | 14.82 |
