Spektraris NMR
Latifoloside A
Common Name: Latifoloside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C47H76O17/c1-21-11-16-47(41(57)64-39-35(56)33(54)31(52)25(19-48)61-39)18-17-44(6)23(37(47)46(21,8)58)9-10-27-43(5)14-13-28(42(3,4)26(43)12-15-45(27,44)7)62-40-36(30(51)24(49)20-59-40)63-38-34(55)32(53)29(50)22(2)60-38/h9,21-22,24-40,48-56,58H,10-20H2,1-8H3/t21-,22+,24+,25-,26+,27-,28+,29+,30+,31-,32-,33+,34-,35-,36-,37-,38+,39+,40+,43+,44-,45-,46-,47+/m1/s1
InChIKey: InChIKey=WZIPJKRPXMPATM-YNLCWPSQSA-N
Formula: C47H76O17
Molecular Weight: 913.097968
Exact Mass: 912.508251
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ouyang, M.A., Wang, H.Q., Liu, Y.Q., Yang, C.R. Phytochemistry (1997) 45, 1501-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 39.1 |
| 2 (CH2) | 26.8 |
| 3 (CH) | 89.1 |
| 4 (C) | 39.6 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 33.6 |
| 8 (C) | 40.7 |
| 9 (CH) | 47.9 |
| 10 (C) | 37.1 |
| 11 (CH2) | 24.2 |
| 12 (CH) | 128.5 |
| 13 (C) | 139.4 |
| 14 (C) | 42.2 |
| 15 (CH2) | 29.4 |
| 16 (CH2) | 26.2 |
| 17 (C) | 48.8 |
| 18 (CH) | 54.6 |
| 19 (C) | 72.8 |
| 20 (CH) | 42.2 |
| 21 (CH2) | 26.7 |
| 22 (CH2) | 37.9 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 16.8 |
| 25 (CH3) | 15.8 |
| 26 (CH3) | 17.5 |
| 27 (CH3) | 24.1 |
| 28 (C) | 177.2 |
| 29 (CH3) | 27.2 |
| 30 (CH3) | 17.1 |
| 1' (CH) | 104.8 |
| 2' (CH) | 76.1 |
| 3' (CH) | 74.2 |
| 4' (CH) | 68.6 |
| 5' (CH2) | 64.5 |
| 1'' (CH) | 101.9 |
| 2'' (CH) | 72.1 |
| 3'' (CH) | 72.8 |
| 4'' (CH) | 74.1 |
| 5'' (CH) | 70 |
| 6'' (CH3) | 18.7 |
| 1''' (CH) | 96 |
| 2''' (CH) | 73.7 |
| 3''' (CH) | 79 |
| 4''' (CH) | 71.4 |
| 5''' (CH) | 79.3 |
| 6''' (CH2) | 62.5 |
