Spektraris NMR
Talinumoside I
Common Name: Talinumoside I
Synonyms: Talinumoside I
CAS Registry Number:
InChI: InChI=1S/C43H66O16/c1-38(2)23-10-13-42(6)24(40(23,4)12-11-25(38)57-35-31(50)28(47)29(48)32(58-35)33(51)52)9-8-20-21-18-39(3,36(53)55-7)14-16-43(21,17-15-41(20,42)5)37(54)59-34-30(49)27(46)26(45)22(19-44)56-34/h8,21-32,34-35,44-50H,9-19H2,1-7H3,(H,51,52)/t21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,39-,40-,41+,42+,43-/m0/s1
InChIKey: InChIKey=MUEUOXPTUMGVJS-BQCKFNBUSA-N
Formula: C43H66O16
Molecular Weight: 838.976212
Exact Mass: 838.435086
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kuljanabhagavad, T., Thongphasuk, P., Chamulitrat, W., Wink, M. Phytochemistry (2008) 69, 1919-26
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) | 38.51 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 87.21 |
| 4 (C) | 39.53 |
| 5 (CH) | 56.02 |
| 6 (CH2) | 18.41 |
| 7 (CH2) | 33.52 |
| 8 (C) | 39.74 |
| 9 (CH) | 47.55 |
| 10 (C) | 37.06 |
| 11 (CH2) | 23.37 |
| 12 (CH) | 123.12 |
| 13 (C) | 144.24 |
| 14 (C) | 42.15 |
| 15 (CH2) | 28.12 |
| 16 (CH2) | 23.84 |
| 17 (C) | 46.15 |
| 18 (CH) | 42.52 |
| 19 (CH2) | 43.25 |
| 20 (C) | 44.12 |
| 21 (CH2) | 30.65 |
| 22 (CH2) | 34.42 |
| 23 (CH3) | 28.34 |
| 24 (CH3) | 17.86 |
| 25 (CH3) | 15.42 |
| 26 (CH3) | 16.89 |
| 27 (CH3) | 26.15 |
| 28 (C) | 177.24 |
| 29 (CH3) | 28.39 |
| 30 (C) | 180.26 |
| 1' (CH) | 107.55 |
| 2' (CH) | 80.01 |
| 3' (CH) | 76.6 |
| 4' (CH) | 75.22 |
| 5' (CH) | 76.21 |
| 6' (C) | 172.34 |
| 1'' (CH) | 95.71 |
| 2'' (CH) | 74.12 |
| 3'' (CH) | 79.3 |
| 4'' (CH) | 71.12 |
| 5'' (CH) | 78.84 |
| 6'' (CH2) | 62.21 |
| 30a (CH3) | 51.77 |
