Spektraris NMR
Caudatoside E
Common Name: Caudatoside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H32O14/c1-10-17-18(23(19(10)31)39-16(30)6-4-11-3-5-13(28)14(29)7-11)12(24(35)36-2)9-37-25(17)40-26-22(34)21(33)20(32)15(8-27)38-26/h3-7,9-10,15,17-23,25-29,31-34H,8H2,1-2H3/b6-4+/t10-,15+,17+,18+,19+,20+,21-,22+,23-,25-,26-/m0/s1
InChIKey: InChIKey=NMIKDMFSQVDXPC-LGIFJXGISA-N
Formula: C26H32O14
Molecular Weight: 568.524906
Exact Mass: 568.179206
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Ayers, S., Sneden, A.T. J Nat Prod (2002) 65, 1621-6
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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 (CH) | 94.94 |
| 3 (CH) | 152.89 |
| 4 (C) | 109.74 |
| 5 (CH) | 36.65 |
| 6 (CH) | 78.51 |
| 7 (CH) | 78.22 |
| 8 (CH) | 39.68 |
| 9 (CH) | 39.95 |
| 10 (CH3) | 13.98 |
| 11 (C) | 166.92 |
| 1' (CH) | 99.14 |
| 2' (CH) | 74.22 |
| 3' (CH) | 77.49 |
| 4' (CH) | 71.3 |
| 5' (CH) | 77.79 |
| 6' (CH2) | 62.66 |
| 6a (C) | 166.6 |
| 6b (CH) | 115.68 |
| 6c (CH) | 145.4 |
| 6d (C) | 127.27 |
| 6e (CH) | 115.04 |
| 6f (C) | 146.24 |
| 6g (C) | 148.73 |
| 6h (CH) | 116.3 |
| 6i (CH) | 122.19 |
| 11a (CH3) | 51.31 |
