Spektraris NMR
Latifoloside E
Common Name: Latifoloside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C53H86O22/c1-22-11-16-53(47(66)75-45-39(65)36(62)33(59)27(20-55)71-45)18-17-50(6)24(42(53)52(22,8)67)9-10-29-49(5)14-13-30(48(3,4)28(49)12-15-51(29,50)7)72-46-41(74-43-37(63)34(60)31(57)23(2)69-43)40(25(56)21-68-46)73-44-38(64)35(61)32(58)26(19-54)70-44/h9,22-23,25-46,54-65,67H,10-21H2,1-8H3/t22-,23-,25-,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41+,42+,43-,44-,45-,46-,49-,50+,51+,52+,53-/m0/s1
InChIKey: InChIKey=XPHZAIDDYJZVAV-KCUKDDCQSA-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 : 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) | 39.3 |
| 2 (CH2) | 27 |
| 3 (CH) | 88.4 |
| 4 (C) | 39.8 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 32 |
| 8 (C) | 40.6 |
| 9 (CH) | 48 |
| 10 (C) | 37.2 |
| 11 (CH2) | 24.2 |
| 12 (CH) | 127.8 |
| 13 (C) | 138.9 |
| 14 (C) | 42.3 |
| 15 (CH2) | 29.4 |
| 16 (CH2) | 24.8 |
| 17 (C) | 48.5 |
| 18 (CH) | 47.4 |
| 19 (C) | 73.6 |
| 20 (CH) | 42.9 |
| 21 (CH2) | 26.8 |
| 22 (CH2) | 33.6 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 11.2 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 17.6 |
| 27 (CH3) | 24.5 |
| 28 (C) | 177.3 |
| 29 (CH3) | 29.8 |
| 30 (CH3) | 16.2 |
| 1' (CH) | 104.8 |
| 2' (CH) | 74.7 |
| 3' (CH) | 82.1 |
| 4' (CH) | 68.2 |
| 5' (CH2) | 64.8 |
| 1'' (CH) | 102 |
| 2'' (CH) | 72.5 |
| 3'' (CH) | 72.6 |
| 4'' (CH) | 74.2 |
| 5'' (CH) | 70.2 |
| 6'' (CH3) | 18.1 |
| 1''' (CH) | 96 |
| 2''' (CH) | 74 |
| 3''' (CH) | 79 |
| 4''' (CH) | 71.2 |
| 5''' (CH) | 79.4 |
| 6''' (CH2) | 62.3 |
| 1'''' (CH) | 104.7 |
| 2'''' (CH) | 75.1 |
| 3'''' (CH) | 78.3 |
| 4'''' (CH) | 71.6 |
| 5'''' (CH) | 78.7 |
| 6'''' (CH2) | 62.6 |
