Spektraris NMR
Cordifoliside E tetraacetate
Common Name: Cordifoliside E tetraacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H42O16/c1-16(35)44-15-25-27(45-17(2)36)28(46-18(3)37)29(47-19(4)38)31(49-25)48-23-8-7-22-21(26(23)30(39)42-6)9-11-34(41)32(40)50-24(13-33(22,34)5)20-10-12-43-14-20/h10,12,14,22-25,27-29,31,41H,7-9,11,13,15H2,1-6H3/t22-,23-,24+,25-,27-,28+,29-,31-,33+,34+/m1/s1
InChIKey: InChIKey=YQWMVXCSRQHQOE-SVSJIDJVSA-N
Formula: C34H42O16
Molecular Weight: 706.689011
Exact Mass: 706.247285
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gangan, V.D., Pradhan, P., Sipahimalani, A.T., Banerji, A. Phytochemistry (1995) 39, 1139-42
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 18.8 |
| 2 (CH2) | 26 |
| 3 (CH) | 73.2 |
| 4 (C) | 150.5 |
| 5 (C) | 126.4 |
| 6 (CH2) | 26.7 |
| 7 (CH2) | 29.6 |
| 8 (C) | 88.8 |
| 9 (C) | 50.1 |
| 10 (CH) | 38.8 |
| 11 (CH2) | 44.4 |
| 12 (CH) | 73 |
| 13 (C) | 124.4 |
| 14 (CH) | 109.5 |
| 15 (CH) | 140.9 |
| 16 (CH) | 143.4 |
| 17 (C) | 177.9 |
| 18 (C) | 167.9 |
| 20 (CH3) | 19.8 |
| 1' (CH) | 51.3 |
| 2' (CH) | 99.8 |
| 3' (CH) | 71.5 |
| 4' (CH) | 71.6 |
| 5' (CH) | 68.4 |
| 6' (CH2) | 72.9 |
| 18a (CH3) | 62.1 |
| 2'a (C) | 169 |
| 2'b (CH3) | 20.6 |
| 3'a (C) | 169.3 |
| 3'b (CH3) | 20.6 |
| 4'a (C) | 170.3 |
| 4'b (CH3) | 20.6 |
| 6'a (C) | 170.6 |
| 6'b (CH3) | 20.6 |
