Spektraris NMR
Mangicol C
Common Name: Mangicol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H40O4/c1-14-11-19(27)25-15(2)7-8-16(25)20-23(5,12-17(14)25)9-10-24(20,6)13-18(26)21(28)22(3,4)29/h12,14-16,18-20,26-27,29H,7-11,13H2,1-6H3/t14-,15-,16-,18?,19+,20-,23+,24+,25+/m0/s1
InChIKey: InChIKey=IDMQOGKKDALVSS-SYSOBRBRSA-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) | 61 |
| 2 (CH) | 47 |
| 3 (CH2) | 34.8 |
| 4 (CH2) | 35.4 |
| 5 (CH) | 35.7 |
| 6 (C) | 59.5 |
| 7 (CH) | 83.9 |
| 8 (CH2) | 40.1 |
| 9 (CH) | 34.6 |
| 10 (C) | 143.3 |
| 11 (CH) | 134.4 |
| 12 (C) | 44.8 |
| 13 (CH2) | 41.2 |
| 14 (CH2) | 38.7 |
| 15 (C) | 47.8 |
| 16 (CH2) | 48.4 |
| 17 (CH) | 74.4 |
| 18 (C) | 218.1 |
| 19 (C) | 81.4 |
| 20 (CH3) | 70.3 |
| 21 (CH3) | 23.2 |
| 22 (CH3) | 24.8 |
| 23 (CH3) | 21.9 |
| 24 (CH3) | 21.5 |
| 25 (CH3) | 31.4 |
