Spektraris NMR
Randiasaponin VII
Common Name: Randiasaponin VII
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H68O15/c1-37(2)13-15-42(36(53)57-35-32(51)30(49)28(47)22(18-44)55-35)16-14-40(5)20(26(42)33(37)52)7-8-24-38(3)11-10-25(39(4,19-45)23(38)9-12-41(24,40)6)56-34-31(50)29(48)27(46)21(17-43)54-34/h7,21-35,43-52H,8-19H2,1-6H3/t21-,22-,23-,24-,25+,26-,27-,28-,29+,30+,31-,32-,33+,34+,35+,38+,39+,40-,41-,42+/m1/s1
InChIKey: InChIKey=SIRZWEUDBHEGCL-HFQOJIDBSA-N
Formula: C42H68O15
Molecular Weight: 812.981953
Exact Mass: 812.455822
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Sahpaz, S., Gupta, M.P., Hostettmann, K. Phytochemistry (2000) 54, 77-84
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) | 39.4 |
| 2 (CH2) | 27.09 |
| 3 (CH) | 83.55 |
| 4 (C) | 43.88 |
| 5 (CH) | 48.34 |
| 6 (CH2) | 19.03 |
| 7 (CH2) | 33.38 |
| 8 (C) | 40.87 |
| 9 (CH) | 48.6 |
| 10 (C) | 37.83 |
| 11 (CH2) | 24.73 |
| 12 (CH) | 124.99 |
| 13 (C) | 144.36 |
| 14 (C) | 42.71 |
| 15 (CH2) | 29.52 |
| 16 (CH2) | 28.45 |
| 17 (C) | 47.13 |
| 18 (CH) | 45.09 |
| 19 (CH) | 82.47 |
| 20 (C) | 35.95 |
| 21 (CH2) | 29.48 |
| 22 (CH2) | 33.29 |
| 23 (CH2) | 64.95 |
| 24 (CH3) | 13.34 |
| 25 (CH3) | 16.36 |
| 26 (CH3) | 17.83 |
| 27 (CH3) | 25.03 |
| 28 (C) | 178.58 |
| 29 (CH3) | 28.61 |
| 30 (CH3) | 25.19 |
| 1' (CH) | 105.72 |
| 2' (CH) | 75.63 |
| 3' (CH) | 78.72 |
| 4' (CH) | 71.57 |
| 5' (CH) | 77.71 |
| 6' (CH2) | 62.75 |
| 1'' (CH) | 95.82 |
| 2'' (CH) | 73.86 |
| 3'' (CH) | 78.57 |
| 4'' (CH) | 71.1 |
| 5'' (CH) | 78.34 |
| 6'' (CH2) | 62.4 |
