Spektraris NMR
Foliasalacin A4
Common Name: Foliasalacin A4
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H54O2/c1-20(2)21(3)12-19-31(9,33)23-13-17-29(7)22(23)10-11-25-28(6)16-15-26(32)27(4,5)24(28)14-18-30(25,29)8/h20,22-26,32-33H,3,10-19H2,1-2,4-9H3/t22-,23+,24+,25-,26+,28+,29-,30-,31+/m1/s1
InChIKey: InChIKey=GHYYPJMOIDQJRP-CFMDIQLFSA-N
Formula: C31H54O2
Molecular Weight: 458.760423
Exact Mass: 458.412381
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yoshikawa, M., Zhang, Y., Wang, T., Nakamura, S., Matsuda, H. Chem Pharm Bull (2008) 56, 915-20
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 39.1 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 79 |
| 4 (C) | 39 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 35.2 |
| 8 (C) | 40.4 |
| 9 (CH) | 50.7 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 24.8 |
| 13 (CH) | 42.4 |
| 14 (C) | 50.4 |
| 15 (CH2) | 31.2 |
| 16 (CH2) | 27.5 |
| 17 (CH) | 49.8 |
| 18 (CH3) | 16.5 |
| 19 (CH3) | 16.2 |
| 20 (C) | 75.4 |
| 21 (CH3) | 25.4 |
| 22 (CH2) | 39.4 |
| 23 (CH2) | 28.4 |
| 24 (C) | 156.5 |
| 25 (CH) | 34 |
| 26 (CH3) | 21.94 |
| 27 (CH3) | 21.96 |
| 28 (CH3) | 28 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 15.5 |
| 24a (CH2) | 106.2 |
