Spektraris NMR
6α-O-acetyl-7-deacetylnimocinol
Common Name: 6α-O-acetyl-7-deacetylnimocinol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O5/c1-16(29)33-22-23-25(2,3)21(30)10-13-27(23,5)20-9-12-26(4)18(17-11-14-32-15-17)7-8-19(26)28(20,6)24(22)31/h8,10-11,13-15,18,20,22-24,31H,7,9,12H2,1-6H3/t18-,20+,22+,23-,24+,26-,27+,28-/m0/s1
InChIKey: InChIKey=GENUPFGLSDVCSZ-XMLHTYRRSA-N
Formula: C28H36O5
Molecular Weight: 452.583497
Exact Mass: 452.256274
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) | 157.3 |
| 2 (CH) | 126.1 |
| 3 (C) | 205.9 |
| 4 (C) | 40.5 |
| 5 (CH) | 49.8 |
| 6 (CH) | 76 |
| 7 (CH) | 68.5 |
| 8 (C) | 45.4 |
| 9 (CH) | 37.1 |
| 10 (C) | 43.1 |
| 11 (CH2) | 16.3 |
| 12 (CH2) | 33.6 |
| 13 (C) | 47 |
| 14 (C) | 158.6 |
| 15 (CH) | 119 |
| 16 (CH2) | 34.3 |
| 17 (CH) | 51.6 |
| 18 (CH3) | 20.7 |
| 19 (CH3) | 14 |
| 20 (C) | 124.5 |
| 21 (CH) | 142.5 |
| 22 (CH) | 110.9 |
| 23 (CH) | 139.6 |
| 28 (CH3) | 27 |
| 29 (CH3) | 19.6 |
| 30 (CH3) | 20.2 |
| 6a (C) | 171.9 |
| 6b (CH3) | 21.2 |
