Spektraris NMR
Foliasalacin A3
Common Name: Foliasalacin A3
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O2/c1-19(2)20(3)10-11-21(4)22-18-27(33)31(9)23(22)12-13-25-29(7)16-15-26(32)28(5,6)24(29)14-17-30(25,31)8/h20,22-27,32-33H,1,4,10-18H2,2-3,5-9H3/t20-,22+,23+,24-,25+,26-,27-,29-,30+,31-/m0/s1
InChIKey: InChIKey=NMNLJGFXOPDWLJ-RLJOBVSYSA-N
Formula: C31H52O2
Molecular Weight: 456.744542
Exact Mass: 456.396731
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) | 39.2 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 78.9 |
| 4 (C) | 39 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 36.3 |
| 8 (C) | 40.9 |
| 9 (CH) | 51.4 |
| 10 (C) | 37.3 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 24.9 |
| 13 (CH) | 43.5 |
| 14 (C) | 50.5 |
| 15 (CH) | 74 |
| 16 (CH2) | 38.7 |
| 17 (CH) | 45.3 |
| 18 (CH3) | 9.1 |
| 19 (CH3) | 16.4 |
| 20 (C) | 152.2 |
| 21 (CH2) | 107.8 |
| 22 (CH2) | 32.3 |
| 23 (CH2) | 33.6 |
| 24 (CH) | 41 |
| 25 (C) | 149.8 |
| 26 (CH2) | 109.6 |
| 27 (CH3) | 18.9 |
| 28 (CH3) | 28 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 15.7 |
| 24a (CH3) | 19.8 |
