Spektraris NMR
Mangicol A
Common Name: Mangicol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H42O5/c1-14-10-19(28)25-15(2)6-7-16(25)20-22(3,11-17(14)25)8-9-23(20,4)12-18(27)21(29)24(5,30)13-26/h11,14-16,18-21,26-30H,6-10,12-13H2,1-5H3/t14-,15-,16-,18-,19+,20-,21-,22+,23+,24-,25+/m0/s1
InChIKey: InChIKey=KJHICOOTWQEHPN-DVMFOLSNSA-N
Formula: C25H42O5
Molecular Weight: 422.598934
Exact Mass: 422.303224
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Renner, M.K., Jensen, P.R., Fenical, W. J Org Chem (2000) 65, 4843-52
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Mangicols; 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) | 59.8 |
| 2 (CH) | 46.8 |
| 3 (CH2) | 34.2 |
| 4 (CH2) | 35.1 |
| 5 (CH) | 34.8 |
| 6 (C) | 59.1 |
| 7 (CH) | 82.8 |
| 8 (CH2) | 40.4 |
| 9 (CH) | 34 |
| 10 (C) | 143.2 |
| 11 (CH) | 133.6 |
| 12 (C) | 44.2 |
| 13 (CH2) | 40.8 |
| 14 (CH2) | 38.7 |
| 15 (C) | 46.9 |
| 16 (CH2) | 50.2 |
| 17 (CH) | 72.4 |
| 18 (CH) | 75.8 |
| 19 (C) | 76.2 |
| 20 (CH2) | 69.7 |
| 21 (CH3) | 19.5 |
| 22 (CH3) | 24.3 |
| 23 (CH3) | 21.8 |
| 24 (CH3) | 21.4 |
| 25 (CH3) | 31.2 |
