Spektraris NMR
Serstestatin 4
Common Name: Serstestatin 4
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O3/c1-22(2)8-6-9-23(3)18(22)7-10-24(4)19(23)12-21(27)25(5)16-14-28-13-15(16)17(26)11-20(24)25/h13-14,17-21,26-27H,6-12H2,1-5H3/t17-,18+,19-,20+,21-,23+,24-,25-/m1/s1
InChIKey: InChIKey=YOOYCQNQJUSJJV-MMRGFKSUSA-N
Formula: C25H38O3
Molecular Weight: 386.568361
Exact Mass: 386.282095
NMR Solvent: CD2Cl2
MHz:
Calibration:
NMR references: 13C - Pettit, G.R., R.Tan, Melody, N., Cichacz, Z.A., Herald, D.L., S.Hoard, M., Pettit, R.K., Chapuis, J.C. Bioorg Med Chem Lett (1998) 8, 2093-8
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Scalaranes; 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 (CH2) | 40.22 |
| 2 (CH2) | 19.02 |
| 3 (CH2) | 42.42 |
| 4 (C) | 33.5 |
| 5 (CH) | 56.92 |
| 6 (CH2) | 18.53 |
| 7 (CH2) | 41.87 |
| 8 (C) | 37.25 |
| 9 (CH) | 59.18 |
| 10 (C) | 37.81 |
| 11 (CH2) | 25.32 |
| 12 (CH) | 79.95 |
| 13 (C) | 40.74 |
| 14 (CH) | 49.58 |
| 15 (CH2) | 28.09 |
| 16 (CH) | 61.56 |
| 17 (C) | 124.53 |
| 18 (C) | 133.97 |
| 19 (CH) | 139.97 |
| 20 (CH) | 137.85 |
| 21 (CH3) | 33.37 |
| 22 (CH3) | 21.44 |
| 23 (CH3) | 16.41 |
| 24 (CH3) | 17.9 |
| 25 (CH3) | 18.63 |
