Spektraris NMR
Epolone B
Common Name: Epolone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O4/c1-15-7-10-23(3,4)8-6-9-24(5)17(13-19(15)25)12-18-16(2)11-20(26)21(27)14-22(18)28-24/h6-8,11,14,17,19,25H,9-10,12-13H2,1-5H3,(H,26,27)/b8-6-,15-7+/t17?,19-,24-/m1/s1
InChIKey: InChIKey=REJAHZFROGUZPE-PMJZKTGZSA-N
Formula: C24H32O4
Molecular Weight: 384.509385
Exact Mass: 384.23006
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Cai, P., Smith, D., Cunningham, B., Brown-Shimer, S., Katz, B., Pearce, C., Venables, D., Houck, D. J Nat Prod (1998) 61, 791-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Miscellanea; 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 (C) | 172.7 |
| 2 (C) | 163.1 |
| 3 (CH) | 113 |
| 4 (C) | 160.9 |
| 5 (C) | 119.9 |
| 6 (C) | 149.8 |
| 7 (CH) | 124.5 |
| 8 (CH2) | 31.3 |
| 9 (CH) | 33.4 |
| 10 (C) | 81.3 |
| 11 (CH2) | 42.6 |
| 12 (CH) | 120.3 |
| 13 (CH) | 142.2 |
| 14 (C) | 38.6 |
| 15 (CH2) | 40.6 |
| 16 (CH) | 123.8 |
| 17 (C) | 138.4 |
| 18 (CH) | 77.9 |
| 19 (CH2) | 38.7 |
| 20 (CH3) | 27.2 |
| 21 (CH3) | 10.6 |
| 22 (CH3) | 30 |
| 23 (CH3) | 24.1 |
| 24 (CH3) | 20.1 |
