Spektraris NMR
Sapimukoside F
Common Name: Sapimukoside F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C54H88O20/c1-10-65-46-27(20-26(69-46)19-24(2)3)28-13-17-54(9)30-11-12-34-51(5,6)35(15-16-52(34,7)29(30)14-18-53(28,54)8)71-50-45(44(39(61)33(21-55)70-50)73-48-41(63)38(60)32(57)23-67-48)74-49-42(64)43(36(58)25(4)68-49)72-47-40(62)37(59)31(56)22-66-47/h11,19,25-29,31-50,55-64H,10,12-18,20-23H2,1-9H3/t25-,26-,27-,28-,29-,31+,32-,33+,34-,35-,36-,37-,38-,39+,40+,41+,42+,43+,44-,45+,46-,47-,48-,49-,50-,52+,53-,54+/m0/s1
InChIKey: InChIKey=LXIZCUWZTRHPNW-FNDXEUTKSA-N
Formula: C54H88O20
Molecular Weight: 1057.266623
Exact Mass: 1056.586895
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ni, W., Hua, Y., Liu, H.Y., Teng, R.W., Kong, Y.C., Hu, X.Y., Chen, C.X. Chem Pharm Bull (2006) 54, 1443-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) | 37.7 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 89.4 |
| 4 (C) | 39.7 |
| 5 (CH) | 51.9 |
| 6 (CH2) | 24.3 |
| 7 (CH) | 118.5 |
| 8 (C) | 145.8 |
| 9 (CH) | 49 |
| 10 (C) | 34.9 |
| 11 (CH2) | 18.1 |
| 12 (CH2) | 32.8 |
| 13 (C) | 44.2 |
| 14 (C) | 51.5 |
| 15 (CH2) | 34.3 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 49.2 |
| 18 (CH3) | 23.5 |
| 19 (CH3) | 13.4 |
| 20 (CH) | 48.9 |
| 21 (CH) | 107.3 |
| 22 (CH2) | 37.7 |
| 23 (CH) | 75.7 |
| 24 (CH) | 129.4 |
| 25 (C) | 133.3 |
| 26 (CH3) | 17.9 |
| 27 (CH3) | 25.8 |
| 28 (CH3) | 27.8 |
| 29 (CH3) | 16.4 |
| 30 (CH3) | 27.3 |
| 1' (CH) | 105.2 |
| 2' (CH) | 76.2 |
| 3' (CH) | 88.6 |
| 4' (CH) | 69.9 |
| 5' (CH) | 76.2 |
| 6' (CH2) | 62.7 |
| 1'' (CH) | 101.4 |
| 2'' (CH) | 72.3 |
| 3'' (CH) | 82.5 |
| 4'' (CH) | 72.4 |
| 5'' (CH) | 69.6 |
| 6'' (CH3) | 18.5 |
| 1''' (CH) | 105 |
| 2''' (CH) | 73 |
| 3''' (CH) | 74.5 |
| 4''' (CH) | 69.4 |
| 5''' (CH2) | 67.8 |
| 1'''' (CH) | 107.5 |
| 2'''' (CH) | 75.7 |
| 3'''' (CH) | 78.5 |
| 4'''' (CH) | 71.2 |
| 5'''' (CH2) | 67.4 |
| 21a (CH2) | 63.1 |
| 21b (CH3) | 15.8 |
