Spektraris NMR
3,22b-dihydroxy-24,29-dinor-1(10),3,5-friedelatriene-21-one
Common Name: 3,22b-dihydroxy-24,29-dinor-1(10),3,5-friedelatriene-21-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h7,14-15,20-21,24,31-32H,8-13H2,1-6H3/t15-,20?,21-,24-,25+,26-,27-,28+/m1/s1
InChIKey: InChIKey=QGIVGOQAAMDENZ-GZVNYUNISA-N
Formula: C28H38O4
Molecular Weight: 438.599973
Exact Mass: 438.27701
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) | 116.8 |
| 2 (C) | 181.28 |
| 3 (C) | 144.99 |
| 4 (C) | 118.4 |
| 5 (C) | 131.85 |
| 6 (CH) | 144.13 |
| 7 (CH2) | 29.3 |
| 8 (CH) | 39.42 |
| 9 (C) | 37.42 |
| 10 (C) | 157.56 |
| 11 (CH2) | 31.43 |
| 12 (CH2) | 29.3 |
| 13 (C) | 39.97 |
| 14 (C) | 43.19 |
| 15 (CH2) | 27.82 |
| 16 (CH2) | 29.7 |
| 17 (C) | 44.86 |
| 18 (CH) | 45.31 |
| 19 (CH2) | 31.68 |
| 20 (CH) | 41.26 |
| 21 (C) | 213.92 |
| 22 (CH) | 77.21 |
| 23 (CH3) | 10.53 |
| 25 (CH3) | 29.3 |
| 26 (CH3) | 15.81 |
| 27 (CH3) | 18.81 |
| 28 (CH3) | 25.15 |
| 30 (CH3) | 14.84 |
