Spektraris NMR
Dicliripariside A
Common Name: Dicliripariside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O14/c1-7-31(5)13-9-11-17(3)27(39)42-16-20-22(34)24(36)26(38)30(44-20)46-32(6,8-2)14-10-12-18(4)28(40)41-15-19-21(33)23(35)25(37)29(43-19)45-31/h7-8,11-12,19-26,29-30,33-38H,1-2,9-10,13-16H2,3-6H3/b17-11-,18-12+/t19-,20+,21-,22+,23-,24+,25-,26+,29+,30-,31?,32?/m1/s1
InChIKey: InChIKey=IINZASCKGHCXIA-SZYGIRLESA-N
Formula: C32H48O14
Molecular Weight: 656.716374
Exact Mass: 656.304406
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Luo Y., Feng C., Tian Y., Zhang G. Phytochemistry (2002) 61, 449-54
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Dimethyloctanes; 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 (C) | 168.4 |
| 2 (C) | 126.8 |
| 3 (CH) | 143.8 |
| 4 (CH2) | 23.4 |
| 5 (CH2) | 36.3 |
| 6 (C) | 79.1 |
| 7 (CH) | 144.6 |
| 8 (CH2) | 114.5 |
| 9 (CH3) | 11.8 |
| 10 (CH3) | 25.7 |
| 11 (C) | 168.4 |
| 12 (C) | 126.8 |
| 13 (CH) | 143.8 |
| 14 (CH2) | 23.4 |
| 15 (CH2) | 36.3 |
| 16 (C) | 79.1 |
| 17 (CH) | 144.6 |
| 18 (CH2) | 114.5 |
| 19 (CH3) | 11.8 |
| 20 (CH3) | 25.7 |
| 1' (CH) | 96.7 |
| 2' (CH) | 71.4 |
| 3' (CH) | 72 |
| 4' (CH) | 68.7 |
| 5' (CH) | 71.8 |
| 6' (CH2) | 65.9 |
| 1'' (CH) | 96.7 |
| 2'' (CH) | 71.4 |
| 3'' (CH) | 72 |
| 4'' (CH) | 68.7 |
| 5'' (CH) | 71.8 |
| 6'' (CH2) | 65.9 |
