Spektraris NMR
2,3,22beta-Trihydroxy-8beta-methyl-21-oxo-24,25,29-trinorfriedela-1,3,5(10),6,9(11)-pentene-23-al
Common Name: 2,3,22beta-Trihydroxy-8beta-methyl-21-oxo-24,25,29-trinorfriedela-1,3,5(10),6,9(11)-pentene-23-al
Synonyms: 2,3,22beta-Trihydroxy-8beta-methyl-21-oxo-24,25,29-trinorfriedela-1,3,5(10),6,9(11)-pentene-23-al
CAS Registry Number:
InChI: InChI=1S/C28H34O5/c1-15-12-21-25(2,24(33)22(15)31)10-11-28(5)26(3)8-6-16-17(19(26)7-9-27(21,28)4)13-20(30)23(32)18(16)14-29/h6-8,13-15,21,24,30,32-33H,9-12H2,1-5H3/t15-,21-,24-,25-,26-,27+,28-/m1/s1
InChIKey: InChIKey=RWMHIVSHSBNIKO-MXSLEULHSA-N
Formula: C28H34O5
Molecular Weight: 450.567615
Exact Mass: 450.240624
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) | 118.21 |
| 2 (C) | 143.89 |
| 3 (C) | 148.35 |
| 4 (C) | 114.22 |
| 5 (C) | 141.08 |
| 6 (CH) | 142.85 |
| 7 (CH) | 115.67 |
| 8 (C) | 44.09 |
| 9 (C) | 129.53 |
| 10 (C) | 126.75 |
| 11 (CH) | 124.63 |
| 12 (CH2) | 37.38 |
| 13 (C) | 40.09 |
| 14 (C) | 40.47 |
| 15 (CH2) | 24.13 |
| 16 (CH2) | 29.4 |
| 17 (C) | 45.25 |
| 18 (CH) | 46.62 |
| 19 (CH2) | 32.02 |
| 20 (CH) | 41.28 |
| 21 (C) | 214.22 |
| 22 (CH) | 75.28 |
| 23 (CH) | 194.86 |
| 25 (CH3) | 22.08 |
| 26 (CH3) | 19.69 |
| 27 (CH3) | 21.2 |
| 28 (CH3) | 25.14 |
| 30 (CH3) | 14.99 |
