Spektraris NMR
bellericagenin A
Common Name: bellericagenin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O6/c1-25(2)9-11-30(24(35)36)12-10-28(5)17(18(30)14-25)7-8-20-26(3)15-19(32)23(34)27(4,16-31)21(26)13-22(33)29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19+,20+,21+,22+,23-,26+,27-,28+,29-,30-/m0/s1
InChIKey: InChIKey=ALRKHWWSWMFBNQ-HFMPVVHUSA-N
Formula: C30H48O6
Molecular Weight: 504.699663
Exact Mass: 504.345089
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mahato S. B., Nandy A. K., Kundu A. P. Tetrahedron (1992) 48, 2483
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 48.5 |
| 2 (CH) | 68.9 |
| 3 (CH) | 78.9 |
| 4 (C) | 43 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 28.1 |
| 7 (CH) | 67.4 |
| 8 (C) | 39.5 |
| 9 (CH) | 50.1 |
| 10 (C) | 38.2 |
| 11 (CH2) | 24.2 |
| 12 (CH) | 123.3 |
| 13 (C) | 144.1 |
| 14 (C) | 41.9 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 23.8 |
| 17 (C) | 46 |
| 18 (CH) | 44.7 |
| 19 (CH2) | 46.8 |
| 20 (C) | 31 |
| 21 (CH2) | 34.3 |
| 22 (CH2) | 32.3 |
| 23 (CH2) | 66 |
| 24 (CH3) | 15.7 |
| 25 (CH3) | 19.1 |
| 26 (CH3) | 18.7 |
| 27 (CH3) | 26.3 |
| 28 (C) | 180.1 |
| 29 (CH3) | 33.3 |
| 30 (CH3) | 23.6 |
