Spektraris NMR
Meliacinol
Common Name: Meliacinol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H42O8/c1-16(2)17(3)28(36)39-22-13-21(33)30(5)15-38-24-25(30)32(22,7)19-8-10-29(4)20(31(19,6)26(24)35)12-23(34)40-27(29)18-9-11-37-14-18/h9,11-12,14,19,21-22,24-27,33,35H,8,10,13,15H2,1-7H3/t19-,21+,22-,24+,25-,26+,27-,29+,30+,31+,32-/m0/s1
InChIKey: InChIKey=JAOOSUNNEZDAPO-NQLKDFLPSA-N
Formula: C32H42O8
Molecular Weight: 554.6723
Exact Mass: 554.287968
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Siddiqui, B.S., Afshan, F., Ghiasuddin, Faizi, S., Naqvi, S.N., Tariq, R.M. Phytochemistry (2000) 53, 371-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Apotirucallanes; 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) | 72 |
| 2 (CH2) | 29.6 |
| 3 (CH) | 71 |
| 4 (C) | 44.2 |
| 5 (CH) | 39.4 |
| 6 (CH) | 72.3 |
| 7 (CH) | 84 |
| 8 (C) | 44.2 |
| 9 (CH) | 39 |
| 10 (C) | 40.6 |
| 11 (CH2) | 17.3 |
| 12 (CH2) | 30.5 |
| 13 (C) | 49.4 |
| 14 (C) | 173 |
| 15 (CH) | 115 |
| 16 (C) | 164 |
| 17 (CH) | 88.9 |
| 18 (CH3) | 19.7 |
| 19 (CH3) | 15.2 |
| 20 (C) | 129.8 |
| 21 (CH) | 138.8 |
| 22 (CH) | 111 |
| 23 (CH) | 143 |
| 28 (CH2) | 77.8 |
| 29 (CH3) | 20.4 |
| 30 (CH3) | 30.8 |
| 1a (C) | 172 |
| 1b (C) | 146.6 |
| 1c (C) | 158 |
| 1d (CH3) | 20.9 |
| 1e (CH3) | 27.7 |
| 1f (CH3) | 13.5 |
