Spektraris NMR
Gypenoside LXIX
Common Name: Gypenoside LXIX
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C53H90O22/c1-48(2,67)15-9-16-53(8,75-46-42(66)38(62)36(60)29(72-46)23-69-44-40(64)33(57)26(56)22-68-44)25-12-18-51(6)24(25)10-11-31-50(5)17-14-32(49(3,4)30(50)13-19-52(31,51)7)73-47-43(39(63)35(59)28(21-55)71-47)74-45-41(65)37(61)34(58)27(20-54)70-45/h9,15,24-47,54-67H,10-14,16-23H2,1-8H3/b15-9+/t24-,25+,26-,27-,28-,29-,30+,31-,32+,33+,34-,35-,36-,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,50+,51-,52-,53+/m1/s1
InChIKey: InChIKey=FSLVDXJJJNEAFI-FBIALTSKSA-N
Formula: C53H90O22
Molecular Weight: 1079.270579
Exact Mass: 1078.592375
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yin, F., Hu, L., Pan, R. Chem Pharm Bull (2004) 52, 1440-4
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) | 26.9 |
| 3 (CH) | 89.2 |
| 4 (C) | 39.8 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 35.2 |
| 8 (C) | 40.2 |
| 9 (CH) | 50.3 |
| 10 (C) | 37 |
| 11 (CH2) | 31 |
| 12 (CH2) | 70.7 |
| 13 (CH) | 49.6 |
| 14 (C) | 51.6 |
| 15 (CH2) | 31 |
| 16 (CH2) | 26.5 |
| 17 (CH) | 52.1 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 16.4 |
| 20 (C) | 83.5 |
| 21 (CH3) | 23.3 |
| 22 (CH2) | 39.8 |
| 23 (CH) | 122.9 |
| 24 (CH) | 142.4 |
| 25 (C) | 70.7 |
| 26 (CH3) | 30.7 |
| 27 (CH3) | 30.7 |
| 28 (CH3) | 28.2 |
| 29 (CH3) | 16.7 |
| 30 (CH3) | 17.3 |
| 1' (CH) | 105.2 |
| 2' (CH) | 83.2 |
| 3' (CH) | 78 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 62.9 |
| 1'' (CH) | 105.9 |
| 2'' (CH) | 77.1 |
| 3'' (CH) | 78.4 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 78.4 |
| 6'' (CH2) | 62.9 |
| 1''' (CH) | 98.3 |
| 2''' (CH) | 75.2 |
| 3''' (CH) | 78.9 |
| 4''' (CH) | 71.6 |
| 5''' (CH) | 76.9 |
| 6''' (CH2) | 70.1 |
| 1'''' (CH) | 105.6 |
| 2'''' (CH) | 74.9 |
| 3'''' (CH) | 78 |
| 4'''' (CH) | 71.7 |
| 5'''' (CH2) | 67.1 |
