Spektraris NMR
Neocreolophin
Common Name: Neocreolophin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H28O10/c1-9-13(29)17-26(37-17)7-10-15(30)21(2)19(31)28(10,23(9,26)4)38-18-14(35-21)12-8-34-27-11(6-25(18,33)24(12,27)5)16-22(3,36-16)20(27)32/h10-12,15-17,30,33H,1,6-8H2,2-5H3/t10-,11-,12+,15+,16+,17+,21-,22+,23+,24+,25+,26+,27+,28+/m0/s1
InChIKey: InChIKey=CHFMANQBCDOJNX-JAQJNVGYSA-N
Formula: C28H28O10
Molecular Weight: 524.516996
Exact Mass: 524.168247
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Opatz, T., Kolshorn, H., Birnbacher, J., Sch¸ffler, A., Deinninger, F., Anke, T. Eur J Org Chem (2007) 0, 5546-50
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Hirsutanes; 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) | 203.6 |
| 2 (C) | 89.71 |
| 3 (C) | 49.5 |
| 4 (C) | 146.5 |
| 5 (C) | 196.8 |
| 6 (CH) | 60.1 |
| 7 (C) | 74.2 |
| 8 (CH2) | 21.8 |
| 9 (CH) | 45 |
| 10 (CH) | 70.5 |
| 11 (C) | 91.3 |
| 12 (CH3) | 15 |
| 14 (CH3) | 14.1 |
| 15 (CH2) | 123.8 |
| 1' (C) | 208.6 |
| 2' (C) | 98.9 |
| 3' (C) | 58 |
| 4' (CH) | 55.1 |
| 5' (C) | 131.1 |
| 6' (C) | 126.7 |
| 7' (C) | 89.75 |
| 8' (CH2) | 39.2 |
| 9' (CH) | 43.1 |
| 10' (CH) | 64.7 |
| 11' (C) | 65.2 |
| 12' (CH3) | 10.6 |
| 14' (CH3) | 13.8 |
| 15' (CH2) | 70.2 |
