Spektraris NMR
Mangicol E
Common Name: Mangicol E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H40O4/c1-15-8-9-25-16(2)6-7-17(25)20-22(3,12-18(15)25)10-11-23(20,4)13-19(27)21(28)24(5,29)14-26/h12,15-17,19-20,26-27,29H,6-11,13-14H2,1-5H3/t15-,16-,17-,19?,20-,22+,23+,24?,25-/m0/s1
InChIKey: InChIKey=WCMVXSJCZKPSHR-NLLTUSTDSA-N
Formula: C25H40O4
Molecular Weight: 404.583647
Exact Mass: 404.29266
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) | 58.1 |
| 2 (CH) | 47.8 |
| 3 (CH2) | 33 |
| 4 (CH2) | 33.5 |
| 5 (CH) | 42.5 |
| 6 (C) | 57.4 |
| 7 (CH2) | 45 |
| 8 (CH2) | 31.9 |
| 9 (CH) | 38.4 |
| 10 (C) | 145.2 |
| 11 (CH) | 131.3 |
| 12 (C) | 45.6 |
| 13 (CH2) | 40.3 |
| 14 (CH2) | 38.9 |
| 15 (C) | 46.9 |
| 16 (CH2) | 49.3 |
| 17 (CH) | 74.2 |
| 18 (C) | 217.7 |
| 19 (C) | 81.1 |
| 20 (CH2) | 70 |
| 21 (CH3) | 23.3 |
| 22 (CH3) | 24.8 |
| 23 (CH3) | 22.5 |
| 24 (CH3) | 22 |
| 25 (CH3) | 30.7 |
