Spektraris NMR
Aralia-saponin V
Common Name: Aralia-saponin V
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C54H88O23/c1-49(2)14-16-54(48(69)77-46-41(68)38(65)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-43(76-45-40(67)37(64)33(60)26(20-56)71-45)42(35(62)28(22-58)73-47)75-44-39(66)36(63)32(59)25(19-55)70-44/h8,24-47,55-68H,9-22H2,1-7H3/t24-,25+,26+,27+,28+,29-,30+,31?,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42-,43+,44-,45-,46-,47-,51-,52+,53+,54-/m0/s1
InChIKey: InChIKey=MROYUZKXUGPCPD-ZROVLDGGSA-N
Formula: C54H88O23
Molecular Weight: 1105.264838
Exact Mass: 1104.571639
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Song S.J., Nakamura N., Ma C.M., Hattori M., Xu S.X. Phytochemistry (2001) 56, 491-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 38.7 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 89.3 |
| 4 (C) | 39.8 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 33.9 |
| 8 (C) | 39.5 |
| 9 (CH) | 47.9 |
| 10 (C) | 36.9 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 122.1 |
| 13 (C) | 144.1 |
| 14 (C) | 42.1 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 23.4 |
| 17 (C) | 46.9 |
| 18 (CH) | 41.7 |
| 19 (CH2) | 46.2 |
| 20 (C) | 30.7 |
| 21 (CH2) | 33.9 |
| 22 (CH2) | 32.5 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 16.7 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 17.4 |
| 27 (CH3) | 26 |
| 28 (C) | 176.4 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 23.6 |
| 1' (CH) | 104.9 |
| 2' (CH) | 79.2 |
| 3' (CH) | 88.6 |
| 4' (CH) | 69.9 |
| 5' (CH) | 77.8 |
| 6' (CH2) | 63.3 |
| 1'' (CH) | 103.8 |
| 2'' (CH) | 76.4 |
| 3'' (CH) | 78.7 |
| 4'' (CH) | 71.5 |
| 5'' (CH) | 77.7 |
| 6'' (CH2) | 62.1 |
| 1''' (CH) | 104.6 |
| 2''' (CH) | 75.4 |
| 3''' (CH) | 78.6 |
| 4''' (CH) | 72.5 |
| 5''' (CH) | 78.6 |
| 6''' (CH2) | 62.2 |
| 1'''' (CH) | 95.7 |
| 2'''' (CH) | 74.1 |
| 3'''' (CH) | 78.8 |
| 4'''' (CH) | 71.1 |
| 5'''' (CH) | 79.3 |
| 6'''' (CH2) | 62.5 |
