Spektraris NMR
Latifoloside C
Common Name: Latifoloside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C53H86O22/c1-22-31(57)34(60)37(63)43(69-22)74-41-40(73-44-38(64)35(61)32(58)25(19-54)70-44)24(56)21-68-46(41)72-29-12-13-50(6)27(49(29,4)5)11-14-52(8)28(50)10-9-23-30-42(66)48(2,3)15-17-53(30,18-16-51(23,52)7)47(67)75-45-39(65)36(62)33(59)26(20-55)71-45/h9,22,24-46,54-66H,10-21H2,1-8H3/t22-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46-,50-,51+,52+,53-/m0/s1
InChIKey: InChIKey=OWJMPCBRZTYZJR-MZRTYAAGSA-N
Formula: C53H86O22
Molecular Weight: 1075.238816
Exact Mass: 1074.561074
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 : 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) | 39 |
| 2 (CH2) | 26.7 |
| 3 (CH) | 88.3 |
| 4 (C) | 39.7 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 33.1 |
| 8 (C) | 40.3 |
| 9 (CH) | 48.4 |
| 10 (C) | 37.3 |
| 11 (CH2) | 24.2 |
| 12 (CH) | 123.6 |
| 13 (C) | 144.4 |
| 14 (C) | 42.2 |
| 15 (CH2) | 29.2 |
| 16 (CH2) | 28.1 |
| 17 (C) | 46.6 |
| 18 (CH) | 44.7 |
| 19 (CH) | 81.1 |
| 20 (C) | 35.7 |
| 21 (CH2) | 29 |
| 22 (CH2) | 33.3 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 17.1 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 17.7 |
| 27 (CH3) | 24.2 |
| 28 (C) | 177.5 |
| 29 (CH3) | 28.8 |
| 30 (CH3) | 25 |
| 1' (CH) | 104.9 |
| 2' (CH) | 74.7 |
| 3' (CH) | 82.3 |
| 4' (CH) | 68.3 |
| 5' (CH2) | 64.6 |
| 1'' (CH) | 102 |
| 2'' (CH) | 72.6 |
| 3'' (CH) | 72.5 |
| 4'' (CH) | 74.2 |
| 5'' (CH) | 70.1 |
| 6'' (CH3) | 18.7 |
| 1''' (CH) | 96 |
| 2''' (CH) | 74 |
| 3''' (CH) | 79 |
| 4''' (CH) | 71.2 |
| 5''' (CH) | 79.4 |
| 6''' (CH2) | 62.2 |
| 1'''' (CH) | 104.7 |
| 2'''' (CH) | 75.1 |
| 3'''' (CH) | 78.3 |
| 4'''' (CH) | 71.5 |
| 5'''' (CH) | 78.6 |
| 6'''' (CH2) | 62.6 |
