Spektraris NMR
Rivalosides E
Common Name: Rivalosides E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H66O15/c1-37(2)13-15-42(36(53)57-34-30(49)27(46)26(45)22(18-43)54-34)16-14-40(5)20(21(42)17-37)7-8-24-38(3)11-10-25(39(4,19-44)23(38)9-12-41(24,40)6)55-35-31(50)28(47)29(48)32(56-35)33(51)52/h7,21-32,34-35,43-50H,8-19H2,1-6H3,(H,51,52)/t21-,22+,23+,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,38-,39+,40+,41+,42-/m0/s1
InChIKey: InChIKey=RZQHWSDMLZHIRN-WFRMFRONSA-N
Formula: C42H66O15
Molecular Weight: 810.966071
Exact Mass: 810.440171
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) | 38.6 |
| 2 (CH2) | 27 |
| 3 (CH) | 89.1 |
| 4 (C) | 44.5 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 19 |
| 7 (CH2) | 33.5 |
| 8 (C) | 40 |
| 9 (CH) | 48 |
| 10 (C) | 36.8 |
| 11 (CH2) | 24.2 |
| 12 (CH) | 123 |
| 13 (C) | 144.2 |
| 14 (C) | 42.3 |
| 15 (CH2) | 28.5 |
| 16 (CH2) | 23.5 |
| 17 (C) | 47.2 |
| 18 (CH) | 41.9 |
| 19 (CH) | 46.3 |
| 20 (C) | 30.9 |
| 21 (CH2) | 34.1 |
| 22 (CH2) | 32.7 |
| 23 (CH3) | 23.5 |
| 24 (CH2) | 63.4 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 17.5 |
| 27 (CH3) | 26.2 |
| 28 (C) | 176.6 |
| 29 (CH3) | 33.3 |
| 30 (CH3) | 23.8 |
| 1' (CH) | 95.6 |
| 2' (CH) | 73.8 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 62.4 |
| 1'' (CH) | 106.6 |
| 2'' (CH) | 75.4 |
| 3'' (CH) | 78.3 |
| 4'' (CH) | 73.7 |
| 5'' (CH) | 78.2 |
| 6'' (C) | 173 |
