Spektraris NMR
Sesterstatin 3
Common Name: Sesterstatin 3
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O4/c1-22(14-26)9-5-10-23(2)16(22)8-11-24(3)17-7-6-15-13-29-21(28)20(15)25(17,4)19(27)12-18(23)24/h16-19,26-27H,5-14H2,1-4H3/t16-,17-,18+,19+,22-,23-,24-,25+/m0/s1
InChIKey: InChIKey=BHUWRPVVYSATJU-PWBGEZQRSA-N
Formula: C25H38O4
Molecular Weight: 402.567766
Exact Mass: 402.27701
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Pettit, G.R., Cichacz, A., Tan, R., Hoard, M.S., Melody, N., Pettit, R. J Nat Prod (1998) 61, 13-6
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) | 38.9 |
| 2 (CH2) | 17.6 |
| 3 (CH2) | 35 |
| 4 (C) | 37.2 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 17.3 |
| 7 (CH2) | 40.7 |
| 8 (C) | 36.5 |
| 9 (CH) | 57.4 |
| 10 (C) | 36.6 |
| 11 (CH2) | 25.5 |
| 12 (CH) | 75.4 |
| 13 (C) | 42 |
| 14 (CH) | 54.4 |
| 15 (CH2) | 15.9 |
| 16 (CH2) | 24.7 |
| 17 (C) | 165.1 |
| 18 (C) | 133.4 |
| 19 (C) | 176.2 |
| 20 (CH2) | 72.5 |
| 21 (CH2) | 70 |
| 22 (CH3) | 16.9 |
| 23 (CH3) | 17.2 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 16.5 |
