Spektraris NMR
Monodesmoside
Common Name: Monodesmoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H66O13/c1-36(2)14-15-41(35(49)50)21(16-36)20-8-9-25-38(5)12-11-27(37(3,4)24(38)10-13-39(25,6)40(20,7)17-26(41)44)53-34-32(28(45)22(43)19-51-34)54-33-31(48)30(47)29(46)23(18-42)52-33/h8,21-34,42-48H,9-19H2,1-7H3,(H,49,50)/t21-,22-,23+,24-,25+,26+,27-,28-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41+/m0/s1
InChIKey: InChIKey=CTTLCTYXPWGOMY-JYTHRGSDSA-N
Formula: C41H66O13
Molecular Weight: 766.956526
Exact Mass: 766.450342
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Sahu, N.P., Mahato, S.B. Phytochemistry (1994) 37, 1425-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 39.6 |
| 2 (CH2) | 28.1 |
| 3 (CH) | 88.9 |
| 4 (C) | 40.3 |
| 5 (CH) | 56 |
| 6 (CH2) | 17.8 |
| 7 (CH2) | 33.08 |
| 8 (C) | 39 |
| 9 (CH) | 47.4 |
| 10 (C) | 37 |
| 11 (CH2) | 24.2 |
| 12 (CH) | 122.6 |
| 13 (C) | 145 |
| 14 (C) | 41.2 |
| 15 (CH2) | 36.3 |
| 16 (CH) | 15 |
| 17 (C) | 48.5 |
| 18 (CH) | 41.5 |
| 19 (CH2) | 41.2 |
| 20 (C) | 31 |
| 21 (CH2) | 35.5 |
| 22 (CH2) | 32.1 |
| 23 (CH3) | 28.4 |
| 24 (CH3) | 16 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 17 |
| 27 (CH3) | 28.3 |
| 28 (C) | 175 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 24.3 |
| 1' (CH) | 104.2 |
| 2' (CH) | 80.2 |
| 3' (CH) | 72.5 |
| 4' (CH) | 68.5 |
| 5' (CH2) | 63.9 |
| 1'' (CH) | 104.2 |
| 2'' (CH) | 75.9 |
| 3'' (CH) | 78 |
| 4'' (CH) | 69.8 |
| 5'' (CH) | 77 |
| 6'' (CH2) | 62.5 |
