Spektraris NMR
Messagenic acid F
Common Name: Messagenic acid F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-18(17-31)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-27(4)12-11-23(32)26(2,3)21(27)10-13-29(22,28)6/h17,19-24,32H,1,7-16H2,2-6H3,(H,33,34)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=OTNMMCVDNMEIGO-FZFNOLFKSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Macias, F.A., Simonet, A.M., Galindo, J.C.G., Pacheco, P.C., Sanchez, J.A. Phytochemistry (1998) 49, 709-17
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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 (CH2) | 38.8 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 78.9 |
| 4 (C) | 38.7 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 34.3 |
| 8 (C) | 40.6 |
| 9 (CH) | 50.3 |
| 10 (C) | 37.2 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 27.2 |
| 13 (CH) | 38.2 |
| 14 (C) | 42.3 |
| 15 (CH2) | 29.7 |
| 16 (CH2) | 31.9 |
| 17 (C) | 56.3 |
| 18 (CH) | 50.3 |
| 19 (CH) | 42.9 |
| 20 (C) | 151 |
| 21 (CH2) | 31.9 |
| 22 (CH2) | 36.8 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.3 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 16 |
| 27 (CH3) | 14.6 |
| 28 (C) | 178.8 |
| 29 (CH2) | 131.1 |
| 30 (CH) | 194.9 |
