Spektraris NMR
Lotoideside A
Common Name: Lotoideside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C52H88O21/c1-21-32(57)36(61)39(64)44(68-21)72-41-34(59)25(56)20-67-46(41)71-30-13-15-50(7)29-11-10-28-49(6)14-12-22(48(4,5)73-45-40(65)37(62)35(60)27(18-53)70-45)31(49)23(54)16-51(28,8)52(29,9)17-26(42(50)47(30,2)3)69-43-38(63)33(58)24(55)19-66-43/h21-46,53-65H,10-20H2,1-9H3/t21-,22+,23-,24+,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+/m0/s1
InChIKey: InChIKey=KKHKBYSVIUUTBW-FFZIRIIJSA-N
Formula: C52H88O21
Molecular Weight: 1049.244556
Exact Mass: 1048.58181
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) | 39.4 |
| 2 (CH2) | 26.4 |
| 3 (CH) | 89.1 |
| 4 (C) | 39.2 |
| 5 (CH) | 60.7 |
| 6 (CH) | 80.1 |
| 7 (CH2) | 43.9 |
| 8 (C) | 43 |
| 9 (CH) | 49.8 |
| 10 (C) | 40.9 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 24.1 |
| 13 (CH) | 49 |
| 14 (C) | 43.8 |
| 15 (CH2) | 43.7 |
| 16 (CH) | 65.9 |
| 17 (CH) | 62.1 |
| 18 (C) | 45.7 |
| 19 (CH2) | 42.1 |
| 20 (CH2) | 27.5 |
| 21 (CH) | 50.4 |
| 22 (C) | 82.9 |
| 23 (CH3) | 30.6 |
| 24 (CH3) | 16.5 |
| 25 (CH3) | 17.8 |
| 26 (CH3) | 18.8 |
| 27 (CH3) | 18.7 |
| 28 (CH3) | 17.8 |
| 29 (CH3) | 26.6 |
| 30 (CH3) | 24.9 |
| 1' (CH) | 105.6 |
| 2' (CH) | 77.9 |
| 3' (CH) | 78.5 |
| 4' (CH) | 70.4 |
| 5' (CH2) | 66.1 |
| 1'' (CH) | 100.8 |
| 2'' (CH) | 71.3 |
| 3'' (CH) | 71.1 |
| 4'' (CH) | 73.2 |
| 5'' (CH) | 68.8 |
| 6'' (CH3) | 18.8 |
| 1''' (CH) | 105.9 |
| 2''' (CH) | 74.5 |
| 3''' (CH) | 79.6 |
| 4''' (CH) | 70.7 |
| 5''' (CH2) | 66.3 |
| 1'''' (CH) | 97.5 |
| 2'''' (CH) | 74.5 |
| 3'''' (CH) | 77.7 |
| 4'''' (CH) | 71.1 |
| 5'''' (CH) | 77.6 |
| 6'''' (CH2) | 62 |
