Spektraris NMR
Leucasperoside A
Common Name: Leucasperoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H60O17/c1-6-37(4)9-7-17-16(12-37)18(41)11-22-36(2,3)23(8-10-38(17,22)5)54-35-32(29(47)25(43)20(14-40)52-35)55-34-31(49)28(46)26(44)21(53-34)15-50-33-30(48)27(45)24(42)19(13-39)51-33/h6,12,17,19-35,39-40,42-49H,1,7-11,13-15H2,2-5H3/t17-,19+,20+,21+,22-,23-,24+,25+,26+,27-,28-,29-,30+,31+,32+,33+,34-,35-,37-,38+/m0/s1
InChIKey: InChIKey=IJHQXIGMGPMLPO-GIDJEDNVSA-N
Formula: C38H60O17
Molecular Weight: 788.874293
Exact Mass: 788.383051
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Sadhu, S.K., Okuyama, E., Fujimoto, H., Ishibashi, M. J Nat Prod (2006) 69, 988-94
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) | 37.9 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 90.3 |
| 4 (C) | 40.4 |
| 5 (CH) | 50.9 |
| 6 (CH2) | 37.7 |
| 7 (C) | 202.9 |
| 8 (C) | 136.6 |
| 9 (CH) | 51.8 |
| 10 (C) | 36.7 |
| 11 (CH2) | 20.1 |
| 12 (CH2) | 35.2 |
| 13 (C) | 39.7 |
| 14 (CH) | 145.6 |
| 15 (CH) | 147.8 |
| 16 (CH2) | 112.2 |
| 17 (CH3) | 26.2 |
| 18 (CH3) | 27.7 |
| 19 (CH3) | 15.9 |
| 20 (CH3) | 14.2 |
| 1' (CH) | 105.2 |
| 2' (CH) | 81.3 |
| 3' (CH) | 78.25 |
| 4' (CH) | 71.9 |
| 5' (CH) | 77.8 |
| 6' (CH2) | 62.8 |
| 1'' (CH) | 104.6 |
| 2'' (CH) | 76.3 |
| 3'' (CH) | 78 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 77 |
| 6'' (CH2) | 70 |
| 1''' (CH) | 104.9 |
| 2''' (CH) | 78.1 |
| 3''' (CH) | 75.2 |
| 4''' (CH) | 71.5 |
| 5''' (CH) | 78.3 |
| 6''' (CH2) | 63.1 |
