Spektraris NMR
Lotoideside F
Common Name: Lotoideside F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H68O13/c1-36(2)26(53-34-31(49)28(46)22(45)18-51-34)12-14-39(6)25-10-9-24-38(5)13-11-19(37(3,4)54-35-32(50)30(48)29(47)23(17-42)52-35)27(38)20(43)15-40(24,7)41(25,8)16-21(44)33(36)39/h19-20,22-35,42-43,45-50H,9-18H2,1-8H3/t19-,20-,22+,23+,24+,25+,26-,27+,28-,29+,30-,31+,32+,33-,34-,35-,38+,39+,40+,41+/m0/s1
InChIKey: InChIKey=VMLCUSZAAPPFET-KRGGYFNUSA-N
Formula: C41H68O13
Molecular Weight: 768.972407
Exact Mass: 768.465992
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Biswas, T., Gupta, M., Achari, B., Pal, B.C. Phytochemistry (2005) 66, 621-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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) | 40 |
| 2 (CH2) | 26.8 |
| 3 (CH) | 87.9 |
| 4 (C) | 38.6 |
| 5 (CH) | 65.4 |
| 6 (C) | 212.2 |
| 7 (CH2) | 51.9 |
| 8 (C) | 48.9 |
| 9 (CH) | 50.4 |
| 10 (C) | 43.6 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 23.7 |
| 13 (CH) | 49.2 |
| 14 (C) | 44.1 |
| 15 (CH2) | 44 |
| 16 (CH) | 66.1 |
| 17 (CH) | 62 |
| 18 (C) | 45.7 |
| 19 (CH2) | 41.9 |
| 20 (CH2) | 27.7 |
| 21 (CH) | 50.7 |
| 22 (C) | 83.2 |
| 23 (CH3) | 27.8 |
| 24 (CH3) | 16.9 |
| 25 (CH3) | 17.3 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 18.8 |
| 28 (CH3) | 17.4 |
| 29 (CH3) | 26.4 |
| 30 (CH3) | 25 |
| 1' (CH) | 107.7 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.3 |
| 5' (CH2) | 67.3 |
| 1'' (CH) | 98.6 |
| 2'' (CH) | 75.4 |
| 3'' (CH) | 78.8 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 78.8 |
| 6'' (CH2) | 63 |
