Spektraris NMR
Floralginsenoside D
Common Name: Floralginsenoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H70O15/c1-36(2,56-51)12-9-13-41(8,55-35-32(50)30(48)29(47)24(54-35)19-52-34-31(49)28(46)23(18-42)53-34)20-10-15-39(6)27(20)21(43)16-25-38(5)14-11-26(45)37(3,4)33(38)22(44)17-40(25,39)7/h9,12,20-35,42-51H,10-11,13-19H2,1-8H3/b12-9+/t20-,21+,22-,23-,24+,25+,26-,27-,28-,29+,30-,31+,32+,33-,34+,35-,38+,39+,40+,41-/m0/s1
InChIKey: InChIKey=IGVQEXVUAXUZKS-BODXZRDZSA-N
Formula: C41H70O15
Molecular Weight: 802.987098
Exact Mass: 802.471472
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) | 39.4 |
| 2 (CH2) | 28.2 |
| 3 (CH) | 78.6 |
| 4 (C) | 40.4 |
| 5 (CH) | 61.8 |
| 6 (CH) | 67.8 |
| 7 (CH2) | 47.5 |
| 8 (C) | 41.3 |
| 9 (CH) | 49.9 |
| 10 (C) | 40.4 |
| 11 (CH2) | 30.9 |
| 12 (CH) | 70.6 |
| 13 (CH) | 49.2 |
| 14 (C) | 51.5 |
| 15 (CH2) | 30.7 |
| 16 (CH2) | 26.4 |
| 17 (CH) | 52.1 |
| 18 (CH3) | 17.3 |
| 19 (CH3) | 17.5 |
| 20 (C) | 83.2 |
| 21 (CH3) | 23.3 |
| 22 (CH2) | 39.9 |
| 23 (CH) | 126.7 |
| 24 (CH) | 138.1 |
| 25 (C) | 81.3 |
| 26 (CH3) | 25.4 |
| 27 (CH3) | 25.2 |
| 28 (CH3) | 32 |
| 29 (CH3) | 16.5 |
| 30 (CH3) | 17.7 |
| 1' (CH) | 98.2 |
| 2' (CH) | 75.1 |
| 3' (CH) | 78.9 |
| 4' (CH) | 72.2 |
| 5' (CH) | 76.4 |
| 6' (CH2) | 68.5 |
| 1'' (CH) | 110.2 |
| 2'' (CH) | 83.3 |
| 3'' (CH) | 78.8 |
| 4'' (CH) | 86.2 |
| 5'' (CH2) | 62.9 |
