Spektraris NMR
Gypenoside XLVIII
Common Name: Gypenoside XLVIII
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C53H88O22/c1-24(2)9-8-15-53(67,23-69-45-40(64)38(62)35(59)29(19-54)71-45)27-12-16-50(6)26(27)10-11-32-51(50,7)17-13-31-49(4,5)33(14-18-52(31,32)22-56)73-48-44(75-46-41(65)37(61)34(58)25(3)70-46)43(28(57)21-68-48)74-47-42(66)39(63)36(60)30(20-55)72-47/h9,22,25-48,54-55,57-67H,8,10-21,23H2,1-7H3/t25-,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=JDQRFARSVKIANC-KLZRDJARSA-N
Formula: C53H88O22
Molecular Weight: 1077.254697
Exact Mass: 1076.576725
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) | 33.8 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 87.3 |
| 4 (C) | 40.2 |
| 5 (CH) | 55.1 |
| 6 (CH2) | 17.9 |
| 7 (CH2) | 34.7 |
| 8 (C) | 40.6 |
| 9 (CH) | 52.9 |
| 10 (C) | 52.9 |
| 11 (CH2) | 22.5 |
| 12 (CH2) | 24.7 |
| 13 (CH) | 41.8 |
| 14 (C) | 50.4 |
| 15 (CH2) | 32 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 46.3 |
| 18 (CH3) | 16.1 |
| 19 (CH) | 205.5 |
| 20 (C) | 76.3 |
| 21 (CH2) | 76.3 |
| 22 (CH2) | 36.7 |
| 23 (CH2) | 23.4 |
| 24 (CH) | 126 |
| 25 (C) | 130.9 |
| 26 (CH3) | 25.9 |
| 27 (CH3) | 17.9 |
| 28 (CH3) | 26.6 |
| 29 (CH3) | 16.6 |
| 30 (CH3) | 17.4 |
| 1' (CH) | 104.8 |
| 2' (CH) | 74.9 |
| 3' (CH) | 82.2 |
| 4' (CH) | 68.3 |
| 5' (CH2) | 65 |
| 1'' (CH) | 102 |
| 2'' (CH) | 72.6 |
| 3'' (CH) | 72.4 |
| 4'' (CH) | 73.9 |
| 5'' (CH) | 70.1 |
| 6'' (CH3) | 18.6 |
| 1''' (CH) | 104.8 |
| 2''' (CH) | 74.9 |
| 3''' (CH) | 78.5 |
| 4''' (CH) | 71.6 |
| 5''' (CH) | 78.5 |
| 6''' (CH2) | 62.9 |
| 1'''' (CH) | 106.1 |
| 2'''' (CH) | 75.5 |
| 3'''' (CH) | 78.6 |
| 4'''' (CH) | 72 |
| 5'''' (CH) | 78.6 |
| 6'''' (CH2) | 63.1 |
