Spektraris NMR
Sigmosceptrellin E methyl ester
Common Name: Sigmosceptrellin E methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H42O4/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-17-25(6)18-16-23(28-29-25)22(5)24(26)27-7/h11,13,15,22-23H,8-10,12,14,16-18H2,1-7H3/b20-13+,21-15+/t22-,23-,25-/m1/s1
InChIKey: InChIKey=LCYOYORSUQYOEM-FVTLRQDZSA-N
Formula: C25H42O4
Molecular Weight: 406.599529
Exact Mass: 406.30831
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ovenden, S.P.B., Capon, R.J. J Nat Prod (1999) 62, 214-8
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Acyclics; 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) | 174.3 |
| 2 (CH) | 43 |
| 3 (CH) | 81.2 |
| 4 (CH2) | 23.5 |
| 5 (CH2) | 32 |
| 6 (C) | 80.1 |
| 7 (CH2) | 39.9 |
| 8 (CH2) | 20.6 |
| 9 (CH) | 123.9 |
| 10 (C) | 131.3 |
| 11 (CH2) | 39.7 |
| 12 (CH2) | 26.7 |
| 13 (CH) | 124.1 |
| 14 (C) | 135.5 |
| 15 (CH2) | 39.6 |
| 16 (CH2) | 26.5 |
| 17 (CH) | 124.4 |
| 18 (C) | 135 |
| 19 (CH3) | 25.7 |
| 20 (CH3) | 13.6 |
| 21 (CH3) | 21.7 |
| 22 (CH3) | 16 |
| 23 (CH3) | 16 |
| 24 (CH3) | 17.7 |
| 1a (CH3) | 51.9 |
