Spektraris NMR
Floralginsenoside E
Common Name: Floralginsenoside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H72O15/c1-37(2,57-52)13-9-14-42(8,51)21-10-16-41(7)28(21)22(45)18-26-39(5)15-12-27(38(3,4)25(39)11-17-40(26,41)6)55-36-34(32(49)30(47)24(20-44)54-36)56-35-33(50)31(48)29(46)23(19-43)53-35/h9,13,21-36,43-52H,10-12,14-20H2,1-8H3/b13-9+/t21-,22+,23+,24+,25-,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,39-,40+,41+,42-/m0/s1
InChIKey: InChIKey=AYMHVZBATCNDEX-YZSKAGILSA-N
Formula: C42H72O15
Molecular Weight: 817.013716
Exact Mass: 816.487122
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) | 39.3 |
| 2 (CH2) | 26.8 |
| 3 (CH) | 89 |
| 4 (C) | 39.8 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 35.3 |
| 8 (C) | 40.2 |
| 9 (CH) | 50.5 |
| 10 (C) | 37.1 |
| 11 (CH2) | 32.2 |
| 12 (CH) | 71.1 |
| 13 (CH) | 49 |
| 14 (C) | 51.8 |
| 15 (CH2) | 31.4 |
| 16 (CH2) | 26.8 |
| 17 (CH) | 54.2 |
| 18 (CH3) | 17.1 |
| 19 (CH3) | 16.5 |
| 20 (C) | 73.3 |
| 21 (CH3) | 27.9 |
| 22 (CH2) | 40.4 |
| 23 (CH) | 127.3 |
| 24 (CH) | 135.8 |
| 25 (C) | 81.3 |
| 26 (CH3) | 25.2 |
| 27 (CH3) | 25.3 |
| 28 (CH3) | 28.2 |
| 29 (CH3) | 16.7 |
| 30 (CH3) | 16 |
| 1' (CH) | 105.1 |
| 2' (CH) | 83.6 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 63 |
| 1'' (CH) | 106.1 |
| 2'' (CH) | 77.1 |
| 3'' (CH) | 78.4 |
| 4'' (CH) | 71.9 |
| 5'' (CH) | 78.2 |
| 6'' (CH2) | 62.9 |
