Spektraris NMR
Sesterstatin 5
Common Name: Sesterstatin 5
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+/m0/s1
InChIKey: InChIKey=YOOYCQNQJUSJJV-SPZQQDFNSA-N
Formula: C25H38O3
Molecular Weight: 386.568361
Exact Mass: 386.282095
NMR Solvent: DMSO-d6
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) | 39.3 |
| 2 (CH2) | 17.7 |
| 3 (CH2) | 41.59 |
| 4 (C) | 32.9 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 41.04 |
| 8 (C) | 36.88 |
| 9 (CH) | 57.9 |
| 10 (C) | 36.77 |
| 11 (CH2) | 27.17 |
| 12 (CH) | 77.94 |
| 13 (C) | 39.9 |
| 14 (CH) | 53.86 |
| 15 (CH2) | 28.63 |
| 16 (CH) | 64.93 |
| 17 (C) | 126.31 |
| 18 (C) | 134.6 |
| 19 (CH) | 136.4 |
| 20 (CH) | 137.5 |
| 21 (CH3) | 33.04 |
| 22 (CH3) | 21.13 |
| 23 (CH3) | 15.96 |
| 24 (CH3) | 17.49 |
| 25 (CH3) | 19.86 |
