Spektraris NMR
Floralginsenoside N
Common Name: Floralginsenoside N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C53H90O22/c1-22(2)11-10-14-53(9,75-47-42(67)38(63)36(61)29(73-47)21-69-45-40(65)34(59)26(56)20-68-45)24-12-16-51(7)32(24)25(55)17-30-50(6)15-13-31(57)49(4,5)44(50)27(18-52(30,51)8)71-48-43(39(64)35(60)28(19-54)72-48)74-46-41(66)37(62)33(58)23(3)70-46/h11,23-48,54-67H,10,12-21H2,1-9H3/t23-,24-,25+,26-,27-,28+,29+,30+,31-,32-,33-,34-,35+,36+,37+,38-,39-,40+,41+,42+,43+,44-,45-,46-,47-,48+,50+,51+,52+,53-/m0/s1
InChIKey: InChIKey=NNBFRCZAUFQIAH-WCFZQSTRSA-N
Formula: C53H90O22
Molecular Weight: 1079.270579
Exact Mass: 1078.592375
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yoshikawa, M., Sugimoto, S., Nakamura, S., Saumae, H., Matsuda, H. Chem Pharm Bull (2007) 55, 1034-8
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) | 27.8 |
| 3 (CH) | 78.8 |
| 4 (C) | 40 |
| 5 (CH) | 61 |
| 6 (CH) | 74.8 |
| 7 (CH2) | 46 |
| 8 (C) | 41.3 |
| 9 (CH) | 49.7 |
| 10 (C) | 39.8 |
| 11 (CH2) | 30.9 |
| 12 (CH) | 70.3 |
| 13 (CH) | 49.2 |
| 14 (C) | 51.5 |
| 15 (CH2) | 30.8 |
| 16 (CH2) | 26.7 |
| 17 (CH) | 51.8 |
| 18 (CH3) | 17.4 |
| 19 (CH3) | 17.3 |
| 20 (C) | 83.5 |
| 21 (CH3) | 22.4 |
| 22 (CH2) | 36.2 |
| 23 (CH2) | 23.3 |
| 24 (CH) | 126 |
| 25 (C) | 131.1 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 17.8 |
| 28 (CH3) | 32.2 |
| 29 (CH3) | 17.6 |
| 30 (CH3) | 17.5 |
| 1' (CH) | 101.8 |
| 2' (CH) | 79.4 |
| 3' (CH) | 78.5 |
| 4' (CH) | 72.1 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 63.3 |
| 1'' (CH) | 101.9 |
| 2'' (CH) | 72.4 |
| 3'' (CH) | 72.4 |
| 4'' (CH) | 74.3 |
| 5'' (CH) | 69.5 |
| 6'' (CH3) | 18.7 |
| 1''' (CH) | 98.2 |
| 2''' (CH) | 75 |
| 3''' (CH) | 79.1 |
| 4''' (CH) | 71.8 |
| 5''' (CH) | 76.7 |
| 6''' (CH2) | 69.2 |
| 1'''' (CH) | 104.5 |
| 2'''' (CH) | 72 |
| 3'''' (CH) | 74.1 |
| 4'''' (CH) | 68.4 |
| 5'''' (CH2) | 65.4 |
