Spektraris NMR
Floralginsenoside B
Common Name: Floralginsenoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H72O16/c1-37(2,58-53)12-9-13-42(8,57-36-33(52)31(50)29(48)24(19-44)56-36)20-10-15-40(6)27(20)21(45)16-25-39(5)14-11-26(46)38(3,4)34(39)22(17-41(25,40)7)54-35-32(51)30(49)28(47)23(18-43)55-35/h9,12,20-36,43-53H,10-11,13-19H2,1-8H3/b12-9+/t20-,21+,22-,23+,24+,25+,26-,27-,28+,29+,30-,31-,32+,33+,34-,35+,36-,39+,40+,41+,42-/m0/s1
InChIKey: InChIKey=SQJZFCXTJOJNPI-YAYYJKCKSA-N
Formula: C42H72O16
Molecular Weight: 833.013121
Exact Mass: 832.482036
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yoshikawa, M., Sugimoto, S., Nakamura, S., Matsuda, H. Chem Pharm Bull (2007) 55, 571-6
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) | 39.5 |
| 2 (CH2) | 28 |
| 3 (CH) | 78.9 |
| 4 (C) | 40.4 |
| 5 (CH) | 61.5 |
| 6 (CH) | 80.1 |
| 7 (CH2) | 45.2 |
| 8 (C) | 41.2 |
| 9 (CH) | 50.3 |
| 10 (C) | 39.8 |
| 11 (CH2) | 31.2 |
| 12 (CH) | 70.5 |
| 13 (CH) | 49.3 |
| 14 (C) | 51.5 |
| 15 (CH2) | 30.6 |
| 16 (CH2) | 26.5 |
| 17 (CH) | 52.2 |
| 18 (CH3) | 17.1 |
| 19 (CH3) | 17.6 |
| 20 (C) | 83.2 |
| 21 (CH3) | 23.2 |
| 22 (CH2) | 39.7 |
| 23 (CH) | 126.6 |
| 24 (CH) | 138 |
| 25 (C) | 81.3 |
| 26 (CH3) | 25.2 |
| 27 (CH3) | 25.4 |
| 28 (CH3) | 31.8 |
| 29 (CH3) | 16.4 |
| 30 (CH3) | 17.6 |
| 1' (CH) | 105.9 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.1 |
| 4' (CH) | 72 |
| 5' (CH) | 79.6 |
| 6' (CH2) | 63.1 |
| 1'' (CH) | 98.3 |
| 2'' (CH) | 75.3 |
| 3'' (CH) | 78 |
| 4'' (CH) | 71.1 |
| 5'' (CH) | 78.7 |
| 6'' (CH2) | 63.2 |
