Spektraris NMR
Rivaloside D
Common Name: Rivaloside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H68O15/c1-37(2)12-14-42(36(53)57-35-31(50)29(48)27(46)22(56-35)18-54-34-30(49)28(47)26(45)21(17-43)55-34)15-13-40(6)19(25(42)33(37)52)8-9-24-39(5)16-20(44)32(51)38(3,4)23(39)10-11-41(24,40)7/h8,20-35,43-52H,9-18H2,1-7H3/t20-,21-,22-,23+,24-,25-,26-,27-,28+,29+,30-,31-,32-,33+,34-,35+,39+,40-,41-,42+/m1/s1
InChIKey: InChIKey=AQZOISAEYXSCFM-NUZIMSINSA-N
Formula: C42H68O15
Molecular Weight: 812.981953
Exact Mass: 812.455822
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - de Rosa, S., Iodice, C., Mitova, M., Handjieva, N., Popov, S., Anchev, M. Phytochemistry (2000) 54, 751-6
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) | 42.8 |
| 2 (CH) | 66.3 |
| 3 (CH) | 79.6 |
| 4 (C) | 39 |
| 5 (CH) | 49 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 33.2 |
| 8 (C) | 40.6 |
| 9 (CH) | 48.4 |
| 10 (C) | 39 |
| 11 (CH2) | 24.4 |
| 12 (CH) | 122.8 |
| 13 (C) | 144.5 |
| 14 (C) | 42.3 |
| 15 (CH2) | 29 |
| 16 (CH2) | 28.1 |
| 17 (C) | 46.6 |
| 18 (CH) | 44.6 |
| 19 (CH) | 81.2 |
| 20 (C) | 35.7 |
| 21 (CH2) | 29.1 |
| 22 (CH2) | 33.3 |
| 23 (CH3) | 29.6 |
| 24 (CH3) | 22.4 |
| 25 (CH3) | 16.8 |
| 26 (CH3) | 17.9 |
| 27 (CH3) | 25 |
| 28 (C) | 177.5 |
| 29 (CH3) | 28.9 |
| 30 (CH3) | 24.8 |
| 1' (CH) | 95.9 |
| 2' (CH) | 74 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71 |
| 5' (CH) | 78.9 |
| 6' (CH2) | 69.5 |
| 1'' (CH) | 105.5 |
| 2'' (CH) | 75.1 |
| 3'' (CH) | 78.6 |
| 4'' (CH) | 71.6 |
| 5'' (CH) | 78.1 |
| 6'' (CH2) | 62.8 |
