Spektraris NMR
Lotoideside B
Common Name: Lotoideside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C47H80O17/c1-20-30(52)34(56)37(63-39-35(57)31(53)24(51)19-59-39)41(60-20)62-28-13-15-45(7)27-11-10-26-44(6)14-12-21(43(4,5)64-40-36(58)33(55)32(54)25(18-48)61-40)29(44)22(49)16-46(26,8)47(27,9)17-23(50)38(45)42(28,2)3/h20-41,48-58H,10-19H2,1-9H3/t20-,21-,22-,23-,24+,25+,26+,27+,28?,29+,30-,31-,32+,33-,34+,35+,36+,37+,38-,39-,40-,41-,44+,45+,46+,47+/m0/s1
InChIKey: InChIKey=IYQJEPUFZYQJEU-LRJHMWFPSA-N
Formula: C47H80O17
Molecular Weight: 917.129731
Exact Mass: 916.539551
NMR Solvent: DMSO-d6
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) | 39.5 |
| 2 (CH2) | 26.7 |
| 3 (CH) | 88.9 |
| 4 (C) | 39 |
| 5 (CH) | 60.8 |
| 6 (CH) | 67.2 |
| 7 (CH2) | 44 |
| 8 (C) | 43.1 |
| 9 (CH) | 49.7 |
| 10 (C) | 40.9 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 24.1 |
| 13 (CH) | 49 |
| 14 (C) | 43.8 |
| 15 (CH2) | 46 |
| 16 (CH) | 65.8 |
| 17 (CH) | 62.2 |
| 18 (C) | 45.7 |
| 19 (CH2) | 42.1 |
| 20 (CH2) | 27.5 |
| 21 (CH) | 50.4 |
| 22 (C) | 82.8 |
| 23 (CH3) | 31 |
| 24 (CH3) | 16.8 |
| 25 (CH3) | 17.7 |
| 26 (CH3) | 18.9 |
| 27 (CH3) | 18.7 |
| 28 (CH3) | 17.8 |
| 29 (CH3) | 26.6 |
| 30 (CH3) | 25.1 |
| 1' (CH) | 100.9 |
| 2' (CH) | 71.1 |
| 3' (CH) | 71.3 |
| 4' (CH) | 72.9 |
| 5' (CH) | 68.9 |
| 6' (CH3) | 18.7 |
| 1'' (CH) | 105.8 |
| 2'' (CH) | 77.8 |
| 3'' (CH) | 78.7 |
| 4'' (CH) | 70.8 |
| 5'' (CH2) | 66.3 |
| 1'''' (CH) | 97.6 |
| 2'''' (CH) | 74.6 |
| 3'''' (CH) | 77.7 |
| 4'''' (CH) | 71.3 |
| 5'''' (CH) | 77.5 |
| 6'''' (CH2) | 62 |
