Spektraris NMR
Repraesentin D
Common Name: Repraesentin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O4/c1-8-3-11-10(6-19-14(11)18)4-9-5-15(2,7-16)13(17)12(8)9/h8-9,12-13,16-17H,3-7H2,1-2H3/t8-,9+,12+,13+,15-/m1/s1
InChIKey: InChIKey=XNCROXXXRUTAOE-OVBBIOHJSA-N
Formula: C15H22O4
Molecular Weight: 266.333355
Exact Mass: 266.151809
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kashiwabara, M., Kamo, T., Makabe, H., Shibata, H., Hirota, M. Biosci Biotechnol Biochem (2006) 70, 1502-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Lactaranes; 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 (CH) | 79 |
| 2 (CH) | 55 |
| 3 (CH) | 30.2 |
| 4 (CH2) | 33.5 |
| 5 (C) | 177.8 |
| 6 (C) | 127.6 |
| 7 (C) | 164.7 |
| 8 (CH2) | 33.1 |
| 9 (CH) | 40.2 |
| 10 (CH2) | 43 |
| 11 (C) | 48 |
| 12 (CH2) | 69.8 |
| 13 (CH3) | 19.5 |
| 14 (CH2) | 73.5 |
| 15 (CH3) | 22.3 |
