Spektraris NMR
Providencin
Common Name: Providencin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H24O10/c1-8-10-6-14(29-9(2)24)23-19(33-23)13(31-21(23)27)7-22(3)18(32-22)12-5-11(20(26)28-4)17(30-12)15(10)16(8)25/h5,10,13-16,18-19,25H,1,6-7H2,2-4H3/t10-,13-,14+,15+,16-,18-,19-,22+,23-/m0/s1
InChIKey: InChIKey=FYPLDEMBVLXUKH-CNHBOPDNSA-N
Formula: C23H24O10
Molecular Weight: 460.431553
Exact Mass: 460.136947
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marrero, J., Rodriguez, A.D., Baran, P., Raptis, R.G. Org Lett (2003) 5, 2551-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Providencanes; 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) | 43.1 |
| 2 (CH) | 42.7 |
| 3 (C) | 157.9 |
| 4 (C) | 114.3 |
| 5 (CH) | 107.8 |
| 6 (C) | 149 |
| 7 (CH) | 55.1 |
| 8 (C) | 56 |
| 9 (CH2) | 39.4 |
| 10 (CH) | 75.7 |
| 11 (CH) | 60.6 |
| 12 (C) | 58.1 |
| 13 (CH) | 65.2 |
| 14 (CH2) | 34.7 |
| 15 (C) | 151 |
| 16 (CH2) | 108.6 |
| 17 (CH) | 72.8 |
| 18 (C) | 164.7 |
| 19 (CH3) | 20.1 |
| 20 (C) | 167.9 |
| 13a (C) | 170 |
| 13b (CH3) | 20.8 |
| 18a (CH3) | 51.9 |
