Spektraris NMR
Rubescensin O
Common Name: Rubescensin O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O7/c1-9-10-5-6-11-19-12(22)7-8-18(2,3)13(19)16(25)21(26,28-17(19)27-4)20(11,14(9)23)15(10)24/h10-17,22-26H,1,5-8H2,2-4H3/t10-,11-,12-,13+,14+,15+,16-,17?,19-,20-,21-/m0/s1
InChIKey: InChIKey=IGWYEXHQPGSZHK-JHBLTKCRSA-N
Formula: C21H32O7
Molecular Weight: 396.475392
Exact Mass: 396.214803
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Han, Q.B., Jiang, B., Zhang, J.X., Niu, X.M., Sun, H.D. Helv Chim Acta (2003) 86, 773-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 74.3 |
| 2 (CH2) | 31.3 |
| 3 (CH2) | 40.7 |
| 4 (C) | 33.2 |
| 5 (CH) | 56.6 |
| 6 (CH) | 73.6 |
| 7 (C) | 101 |
| 8 (C) | 53.7 |
| 9 (CH) | 48.3 |
| 10 (C) | 44.4 |
| 11 (CH2) | 19.6 |
| 12 (CH2) | 33.8 |
| 13 (CH) | 45.7 |
| 14 (CH) | 75.7 |
| 15 (CH) | 72.7 |
| 16 (C) | 161 |
| 17 (CH2) | 109.4 |
| 18 (CH3) | 35.8 |
| 19 (CH3) | 23.2 |
| 20 (CH) | 101 |
| 20a (CH3) | 55 |
