Spektraris NMR
1a-hydroxyleucosceptrine
Common Name: 1a-hydroxyleucosceptrine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O8/c1-12-6-8-17-16(5)25(31)23(29,11-15(4)22(28)33-25)24(30,20(12)17)21(27)13(2)7-9-18-14(3)10-19(26)32-18/h10-13,16-18,20,22,28-31H,6-9H2,1-5H3/t12-,13+,16-,17-,18-,20+,22-,23-,24-,25-/m1/s1
InChIKey: InChIKey=WRYDGMDKRJKDJG-WXWUUCERSA-N
Formula: C25H36O8
Molecular Weight: 464.549504
Exact Mass: 464.241018
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Choudhary, M.I., Ranjit, R., Atta Ur, R., Devkota, K.P., Musharraf, S.G., Shrestha, T.M. Phytochemistry (2006) 67, 439-43
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Bicarbocyclics; 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) | 104.2 |
| 2 (C) | 142 |
| 3 (CH) | 123.6 |
| 4 (C) | 75.2 |
| 5 (C) | 101.2 |
| 6 (CH) | 46.7 |
| 7 (CH) | 47.7 |
| 8 (CH2) | 35.3 |
| 9 (CH2) | 32.4 |
| 10 (CH) | 35.3 |
| 11 (CH) | 57.4 |
| 12 (C) | 86.5 |
| 13 (C) | 218.3 |
| 14 (CH) | 41.7 |
| 15 (CH2) | 28.1 |
| 16 (CH2) | 26.3 |
| 17 (CH) | 84.5 |
| 18 (C) | 168.3 |
| 19 (CH) | 117.2 |
| 20 (C) | 174.1 |
| 21 (CH3) | 17.1 |
| 22 (CH3) | 12.5 |
| 23 (CH3) | 21.2 |
| 24 (CH3) | 13.8 |
| 25 (CH3) | 12.1 |
