Spektraris NMR
bellericagenin B
Common Name: bellericagenin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O7/c1-25(2)10-12-29(24(36)37)13-11-27(4)17(21(29)23(25)35)6-7-19-26(3)14-18(33)22(34)30(15-31,16-32)20(26)8-9-28(19,27)5/h6,18-23,31-35H,7-16H2,1-5H3,(H,36,37)/t18-,19-,20-,21-,22+,23+,26-,27-,28-,29+/m1/s1
InChIKey: InChIKey=AMUBZPULDIMIKH-LYJAPVISSA-N
Formula: C30H48O7
Molecular Weight: 520.699068
Exact Mass: 520.340004
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) | 47.9 |
| 2 (CH) | 69 |
| 3 (CH) | 79.8 |
| 4 (C) | 47.9 |
| 5 (CH) | 48.7 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 33.3 |
| 8 (C) | 40.1 |
| 9 (CH) | 48.2 |
| 10 (C) | 38.1 |
| 11 (CH2) | 24.3 |
| 12 (CH) | 123.4 |
| 13 (C) | 144.8 |
| 14 (C) | 41.9 |
| 15 (CH2) | 29 |
| 16 (CH2) | 28 |
| 17 (C) | 46.1 |
| 18 (CH) | 44.9 |
| 19 (CH) | 80.8 |
| 20 (C) | 35.6 |
| 21 (CH2) | 28.5 |
| 22 (CH2) | 33.2 |
| 23 (CH2) | 64.3 |
| 24 (CH2) | 63.2 |
| 25 (CH3) | 17.5 |
| 26 (CH3) | 17.2 |
| 27 (CH3) | 24.9 |
| 28 (C) | 180.9 |
| 29 (CH3) | 28.9 |
| 30 (CH3) | 24.8 |
