Spektraris NMR
Brachyoside B
Common Name: Brachyoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H60O10/c1-30(2)22(39)8-11-36-17-35(36)13-12-32(5)27(34(7)10-9-23(46-34)31(3,4)43)18(38)15-33(32,6)21(35)14-19(28(30)36)44-29-26(42)25(41)24(40)20(16-37)45-29/h18-29,37-43H,8-17H2,1-7H3/t18-,19-,20+,21-,22-,23-,24+,25-,26+,27-,28-,29+,32+,33-,34+,35-,36+/m0/s1
InChIKey: InChIKey=MHQQPTNPTWQCBN-XQZOPXIASA-N
Formula: C36H60O10
Molecular Weight: 652.856987
Exact Mass: 652.418648
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mamedova, R.P., Isaev, M.I. Chem Nat Compd (2004) 40, 303-57
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32 |
| 2 (CH2) | 28.9 |
| 3 (CH) | 77.7 |
| 4 (C) | 41.4 |
| 5 (CH) | 52 |
| 6 (CH) | 79.4 |
| 7 (CH2) | 34.4 |
| 8 (CH) | 45.7 |
| 9 (C) | 20.8 |
| 10 (C) | 28.9 |
| 11 (CH2) | 25.7 |
| 12 (CH2) | 32.8 |
| 13 (C) | 44.5 |
| 14 (C) | 45.7 |
| 15 (CH2) | 45.5 |
| 16 (CH) | 72.9 |
| 17 (CH) | 57.7 |
| 18 (CH3) | 20.7 |
| 19 (CH2) | 30.5 |
| 20 (C) | 86.8 |
| 21 (CH3) | 26.5 |
| 22 (CH2) | 34.4 |
| 23 (CH2) | 25.9 |
| 24 (CH) | 81.1 |
| 25 (C) | 70.9 |
| 26 (CH3) | 27.6 |
| 27 (CH3) | 28.1 |
| 28 (CH3) | 28.6 |
| 29 (CH3) | 19.4 |
| 30 (CH3) | 15.7 |
| 1' (CH) | 104.6 |
| 2' (CH) | 74.9 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.1 |
| 5' (CH) | 77.5 |
| 6' (CH2) | 62.3 |
