Spektraris NMR
Neomangicol C
Common Name: Neomangicol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O5/c1-13-6-7-15-20-16(13)8-14(2)17(20)9-23(3)11-19(28)24(4,21(15)23)10-18(27)22(29)25(5,30)12-26/h6-7,18-19,21-22,26-30H,8-12H2,1-5H3/t18-,19-,21-,22-,23-,24-,25-/m0/s1
InChIKey: InChIKey=PEQQQSBBJZXHSY-XUIKZYCZSA-N
Formula: C25H36O5
Molecular Weight: 416.551289
Exact Mass: 416.256274
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Renner, M.K., Jensen, P.R., Fenical, W. J Org Chem (1998) 63, 8346-54
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Neomangicols; 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) | 54.3 |
| 2 (C) | 128.2 |
| 3 (CH) | 127.4 |
| 4 (CH) | 126.5 |
| 5 (C) | 131.2 |
| 6 (C) | 140.3 |
| 7 (C) | 144.5 |
| 8 (CH2) | 42.9 |
| 9 (C) | 136.4 |
| 10 (C) | 134.3 |
| 11 (CH2) | 34.4 |
| 12 (C) | 40.5 |
| 13 (CH2) | 49.7 |
| 14 (CH) | 81.8 |
| 15 (C) | 48.9 |
| 16 (CH2) | 44.8 |
| 17 (CH) | 70.8 |
| 18 (CH) | 75.8 |
| 19 (C) | 77 |
| 20 (CH2) | 69.4 |
| 21 (CH3) | 19.4 |
| 22 (CH3) | 28.4 |
| 23 (CH3) | 18.4 |
| 24 (CH3) | 13.7 |
| 25 (CH3) | 29.1 |
