Spektraris NMR
22,23-Dihydronimocinol
Common Name: 22,23-Dihydronimocinol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O5/c1-16(29)33-24-22(31)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(20,24)6/h8,10,13,15,18,20,22-24,31H,7,9,11-12,14H2,1-6H3/t18-,20+,22+,23-,24+,26-,27+,28-/m0/s1
InChIKey: InChIKey=DQHRAIFEHNKZSV-XMLHTYRRSA-N
Formula: C28H38O5
Molecular Weight: 454.599378
Exact Mass: 454.271924
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Siddiqui, B.S., Afshan, F., Faizi, S., Naeem-Ul-Hassan Naqvi, S., Tariq, R.M. J Nat Prod (2002) 65, 1216-8
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 |
| 2 (CH) | 124 |
| 3 (C) | 205 |
| 4 (C) | 40 |
| 5 (CH) | 50.3 |
| 6 (CH) | 67.3 |
| 7 (CH) | 79 |
| 8 (C) | 46 |
| 9 (CH) | 37.3 |
| 10 (C) | 34.5 |
| 11 (CH2) | 16 |
| 12 (CH2) | 32 |
| 13 (C) | 46 |
| 14 (C) | 158 |
| 15 (CH) | 119 |
| 16 (CH2) | 33.8 |
| 17 (CH) | 51 |
| 18 (CH3) | 21.8 |
| 19 (CH3) | 21.8 |
| 20 (C) | 123 |
| 21 (CH) | 142 |
| 22 (CH2) | 29.5 |
| 23 (CH2) | 67 |
| 28 (CH3) | 27 |
| 29 (CH3) | 24 |
| 30 (CH3) | 20 |
| 7a (C) | 172 |
| 7b (CH3) | 21 |
