Spektraris NMR
Foliasalacin B3
Common Name: Foliasalacin B3
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-18(25(32)33)19-10-13-27(4)16-17-29(6)20(24(19)27)8-9-22-28(5)14-12-23(31)26(2,3)21(28)11-15-30(22,29)7/h18-22,24H,8-17H2,1-7H3,(H,32,33)/t18-,19+,20-,21+,22-,24-,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=GUUIRVFLILUCRL-NTXGPNNJSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
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 : 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) | 39.5 |
| 2 (CH2) | 34.1 |
| 3 (C) | 218.3 |
| 4 (C) | 47.3 |
| 5 (CH) | 54.8 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 33.7 |
| 8 (C) | 40.8 |
| 9 (CH) | 49.3 |
| 10 (C) | 36.8 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 27 |
| 13 (CH) | 37.8 |
| 14 (C) | 43.1 |
| 15 (CH2) | 27.3 |
| 16 (CH2) | 35.3 |
| 17 (C) | 43 |
| 18 (CH) | 48.6 |
| 19 (CH) | 43.5 |
| 20 (CH) | 42 |
| 21 (CH2) | 23.8 |
| 22 (CH2) | 39.7 |
| 23 (CH3) | 26.7 |
| 24 (CH3) | 21 |
| 25 (CH3) | 16 |
| 26 (CH3) | 15.8 |
| 27 (CH3) | 14.4 |
| 28 (CH3) | 17.8 |
| 29 (C) | 181.8 |
| 30 (CH3) | 17.1 |
