Spektraris NMR
Leucasperoside C
Common Name: Leucasperoside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H60O16/c1-7-37(5)10-8-18-17(13-37)19(40)12-22-36(3,4)23(9-11-38(18,22)6)53-35-32(54-34-31(48)27(44)24(41)16(2)50-34)29(46)26(43)21(52-35)15-49-33-30(47)28(45)25(42)20(14-39)51-33/h7,13,16,18,20-35,39,41-48H,1,8-12,14-15H2,2-6H3/t16-,18-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33+,34-,35-,37-,38+/m0/s1
InChIKey: InChIKey=DYQUUDTVSYFIFR-FWDXNEEQSA-N
Formula: C38H60O16
Molecular Weight: 772.874888
Exact Mass: 772.388136
NMR Solvent: DMSO-d6
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) | 36.3 |
| 2 (CH2) | 26 |
| 3 (CH) | 86.8 |
| 4 (C) | 38.5 |
| 5 (CH) | 49.1 |
| 6 (CH2) | 36.4 |
| 7 (C) | 199 |
| 8 (C) | 135.2 |
| 9 (CH) | 49.6 |
| 10 (C) | 35 |
| 11 (CH2) | 18.3 |
| 12 (CH2) | 33.2 |
| 13 (C) | 38.1 |
| 14 (CH) | 142.4 |
| 15 (CH) | 146.5 |
| 16 (CH2) | 111.7 |
| 17 (CH3) | 25.6 |
| 18 (CH3) | 26.6 |
| 19 (CH3) | 15.2 |
| 20 (CH3) | 13.5 |
| 1' (CH) | 103.4 |
| 2' (CH) | 76.3 |
| 3' (CH) | 77.9 |
| 4' (CH) | 70.3 |
| 5' (CH) | 75.7 |
| 6' (CH2) | 68.6 |
| 1'' (CH) | 99.8 |
| 2'' (CH) | 70.1 |
| 3'' (CH) | 70.7 |
| 4'' (CH) | 72 |
| 5'' (CH) | 68 |
| 6'' (CH3) | 17.8 |
| 1''' (CH) | 103.3 |
| 2''' (CH) | 73.6 |
| 3''' (CH) | 76.77 |
| 4''' (CH) | 70.4 |
| 5''' (CH) | 76.8 |
| 6''' (CH2) | 61.1 |
