Spektraris NMR
Lotoideside E
Common Name: Lotoideside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H68O12/c1-35(2)26(52-34-31(47)29(45)22(43)18-50-34)12-14-38(6)25-10-9-24-37(5)13-11-19(36(3,4)48)27(37)20(41)15-39(24,7)40(25,8)16-23(32(35)38)51-33-30(46)28(44)21(42)17-49-33/h19-34,41-48H,9-18H2,1-8H3/t19-,20-,21+,22+,23-,24+,25+,26?,27+,28-,29-,30+,31+,32-,33-,34-,37+,38+,39+,40+/m0/s1
InChIKey: InChIKey=WDNRGOKAQYUFRP-UDTOZRKNSA-N
Formula: C40H68O12
Molecular Weight: 740.962266
Exact Mass: 740.471078
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) | 39.3 |
| 2 (CH2) | 26.8 |
| 3 (CH) | 89.5 |
| 4 (C) | 40.7 |
| 5 (CH) | 60.9 |
| 6 (CH) | 80 |
| 7 (CH2) | 44.3 |
| 8 (C) | 43.3 |
| 9 (CH) | 50 |
| 10 (C) | 39.4 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 24.1 |
| 13 (CH) | 49.3 |
| 14 (C) | 44.4 |
| 15 (CH2) | 44.8 |
| 16 (CH) | 66.9 |
| 17 (CH) | 61.8 |
| 18 (C) | 46 |
| 19 (CH2) | 42.1 |
| 20 (CH2) | 28.2 |
| 21 (CH) | 52.1 |
| 22 (C) | 73.4 |
| 23 (CH3) | 31.2 |
| 24 (CH3) | 17.1 |
| 25 (CH3) | 17.6 |
| 26 (CH3) | 18.7 |
| 27 (CH3) | 18.7 |
| 28 (CH3) | 17.5 |
| 29 (CH3) | 31.5 |
| 30 (CH3) | 27.8 |
| 1' (CH) | 108 |
| 2' (CH) | 75.7 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.4 |
| 5' (CH2) | 67.1 |
| 1'' (CH) | 106.8 |
| 2'' (CH) | 75.2 |
| 3'' (CH) | 79.2 |
| 4'' (CH) | 71.2 |
| 5'' (CH2) | 67 |
