Spektraris NMR
Aralia-saponin VI
Common Name: Aralia-saponin VI
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C54H88O24/c1-49(2)14-15-54(48(70)78-46-41(69)38(66)34(62)26(20-57)73-46)23(16-49)22-8-9-29-51(5)12-11-31(50(3,4)28(51)10-13-52(29,6)53(22,7)17-30(54)59)75-47-43(77-45-40(68)37(65)33(61)25(19-56)72-45)42(35(63)27(21-58)74-47)76-44-39(67)36(64)32(60)24(18-55)71-44/h8,23-47,55-69H,9-21H2,1-7H3/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-,51-,52+,53+,54+/m0/s1
InChIKey: InChIKey=OIMHYZAWACXBBH-PQYOORDQSA-N
Formula: C54H88O24
Molecular Weight: 1121.264243
Exact Mass: 1120.566554
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) | 38.8 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 89.3 |
| 4 (C) | 39.5 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 33.4 |
| 8 (C) | 40.1 |
| 9 (CH) | 47.1 |
| 10 (C) | 36.9 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 122.7 |
| 13 (C) | 144.2 |
| 14 (C) | 42 |
| 15 (CH2) | 36.1 |
| 16 (CH) | 74.1 |
| 17 (C) | 49.1 |
| 18 (CH) | 41.3 |
| 19 (CH2) | 47.1 |
| 20 (C) | 30.8 |
| 21 (CH2) | 35.9 |
| 22 (CH2) | 32.2 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 16.7 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 17.5 |
| 27 (CH3) | 27.2 |
| 28 (C) | 175.9 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 24.6 |
| 1' (CH) | 104.9 |
| 2' (CH) | 79.3 |
| 3' (CH) | 88.6 |
| 4' (CH) | 69.9 |
| 5' (CH) | 77.6 |
| 6' (CH2) | 63.3 |
| 1'' (CH) | 103.8 |
| 2'' (CH) | 76.4 |
| 3'' (CH) | 78.6 |
| 4'' (CH) | 71 |
| 5'' (CH) | 77.9 |
| 6'' (CH2) | 62.1 |
| 1''' (CH) | 104.6 |
| 2''' (CH) | 75.4 |
| 3''' (CH) | 78.8 |
| 4''' (CH) | 72.5 |
| 5''' (CH) | 78.5 |
| 6''' (CH2) | 62.2 |
| 1'''' (CH) | 95.3 |
| 2'''' (CH) | 74.3 |
| 3'''' (CH) | 79.1 |
| 4'''' (CH) | 71 |
| 5'''' (CH) | 79.3 |
| 6'''' (CH2) | 62.6 |
