Spektraris NMR
Floralginsenoside A
Common Name: Floralginsenoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H72O16/c1-19(2)22(58-53)10-14-42(8,57-37-34(52)32(50)30(48)25(18-44)56-37)20-9-13-40(6)28(20)21(45)15-26-39(5)12-11-27(46)38(3,4)35(39)23(16-41(26,40)7)54-36-33(51)31(49)29(47)24(17-43)55-36/h20-37,43-53H,1,9-18H2,2-8H3/t20-,21+,22?,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1
InChIKey: InChIKey=UOOOLBYCGFVHQY-UBOHJMNTSA-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) | 39.6 |
| 2 (CH2) | 28 |
| 3 (CH) | 78.8 |
| 4 (C) | 40.4 |
| 5 (CH) | 61.5 |
| 6 (CH) | 80.1 |
| 7 (CH2) | 45.3 |
| 8 (C) | 41.2 |
| 9 (CH) | 50.1 |
| 10 (C) | 39.8 |
| 11 (CH2) | 31.1 |
| 12 (CH) | 70.3 |
| 13 (CH) | 49.3 |
| 14 (C) | 51.5 |
| 15 (CH2) | 30.7 |
| 16 (CH2) | 26.8 |
| 17 (CH) | 51.5 |
| 18 (CH3) | 17.3 |
| 19 (CH3) | 17.6 |
| 20 (C) | 83.2 |
| 21 (CH3) | 22.6 |
| 22 (CH2) | 32.9 |
| 23 (CH2) | 26.7 |
| 24 (CH) | 89.9 |
| 25 (C) | 145.8 |
| 26 (CH2) | 113.3 |
| 27 (CH3) | 17.8 |
| 28 (CH3) | 31.8 |
| 29 (CH3) | 16.4 |
| 30 (CH3) | 17.6 |
| 1' (CH) | 106 |
| 2' (CH) | 75.5 |
| 3' (CH) | 79.6 |
| 4' (CH) | 72 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 63.1 |
| 1'' (CH) | 98.1 |
| 2'' (CH) | 75.1 |
| 3'' (CH) | 79.2 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 78 |
| 6'' (CH2) | 63.1 |
