Spektraris NMR
Chiisanogenin
Common Name: Chiisanogenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O4/c1-17(2)19-8-13-30(26(32)33)15-14-28(6)21(24(19)30)16-22-25-27(5,11-10-23(31)34-22)20(18(3)4)9-12-29(25,28)7/h19-22,24-25H,1,3,8-16H2,2,4-7H3,(H,32,33)/t19-,20-,21+,22+,24+,25+,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=IDHKUWFPZFXCLG-NGPAZLIESA-N
Formula: C30H44O4
Molecular Weight: 468.66909
Exact Mass: 468.32396
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kasai R., Matsumoto K., Taniyasu S., Tanaka O., Kim j.H., Hahn D.R. Chem Pharm Bull (1986) 34, 3284
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 75.3 |
| 2 (CH2) | 38.5 |
| 3 (C) | 172.8 |
| 4 (C) | 147.7 |
| 5 (CH) | 49.5 |
| 6 (CH2) | 25.1 |
| 7 (CH2) | 33.5 |
| 8 (C) | 41.6 |
| 9 (CH) | 44.1 |
| 10 (C) | 43.9 |
| 11 (CH) | 70.5 |
| 12 (CH2) | 32.5 |
| 13 (CH) | 35.3 |
| 14 (C) | 42.3 |
| 15 (CH2) | 30.9 |
| 16 (CH2) | 32.6 |
| 17 (C) | 56.3 |
| 18 (CH) | 47.8 |
| 19 (CH) | 49.5 |
| 20 (C) | 150.5 |
| 21 (CH2) | 29.6 |
| 22 (CH2) | 37.3 |
| 23 (CH2) | 113.9 |
| 24 (CH3) | 23.5 |
| 25 (CH3) | 18.9 |
| 26 (CH3) | 17.8 |
| 27 (CH3) | 13.7 |
| 28 (C) | 178.7 |
| 29 (CH2) | 110.6 |
| 30 (CH3) | 18.9 |
