Spektraris NMR
Latifoloside D
Common Name: Latifoloside D
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-/m0/s1
InChIKey: InChIKey=WZIPJKRPXMPATM-AAOSRYERSA-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) | 39.2 |
| 2 (CH2) | 27 |
| 3 (CH) | 89.1 |
| 4 (C) | 39.7 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 32.1 |
| 8 (C) | 40.6 |
| 9 (CH) | 48 |
| 10 (C) | 37.2 |
| 11 (CH2) | 24.2 |
| 12 (CH) | 127.8 |
| 13 (C) | 139 |
| 14 (C) | 42.3 |
| 15 (CH2) | 29.4 |
| 16 (CH2) | 24.9 |
| 17 (C) | 48.6 |
| 18 (CH) | 47.4 |
| 19 (C) | 73.6 |
| 20 (CH) | 42.9 |
| 21 (CH2) | 26.8 |
| 22 (CH2) | 33.7 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 17.2 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 17.7 |
| 27 (CH3) | 24.2 |
| 28 (C) | 177.5 |
| 29 (CH3) | 29.9 |
| 30 (CH3) | 16.3 |
| 1' (CH) | 104.9 |
| 2' (CH) | 76.2 |
| 3' (CH) | 74.2 |
| 4' (CH) | 68.8 |
| 5' (CH2) | 64.7 |
| 1'' (CH) | 101.9 |
| 2'' (CH) | 72.5 |
| 3'' (CH) | 72.5 |
| 4'' (CH) | 74.1 |
| 5'' (CH) | 70.1 |
| 6'' (CH3) | 18.8 |
| 1''' (CH) | 96 |
| 2''' (CH) | 73.8 |
| 3''' (CH) | 79 |
| 4''' (CH) | 71.2 |
| 5''' (CH) | 79.4 |
| 6''' (CH2) | 62.3 |
