Spektraris NMR
Caudatoside C
Common Name: Caudatoside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H32O13/c1-11-17-18(23(19(11)30)38-16(29)8-5-12-3-6-13(28)7-4-12)14(24(34)35-2)10-36-25(17)39-26-22(33)21(32)20(31)15(9-27)37-26/h3-8,10-11,15,17-23,25-28,30-33H,9H2,1-2H3/b8-5+/t11-,15+,17+,18+,19+,20+,21-,22+,23-,25-,26-/m0/s1
InChIKey: InChIKey=DOJKTKQXEVTQMI-LVJCECSGSA-N
Formula: C26H32O13
Molecular Weight: 552.525502
Exact Mass: 552.184291
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) | 94.96 |
| 3 (CH) | 152.84 |
| 4 (C) | 109.76 |
| 5 (CH) | 36.75 |
| 6 (CH) | 78.5 |
| 7 (CH) | 78.23 |
| 8 (CH) | 39.76 |
| 9 (CH) | 40.01 |
| 10 (CH3) | 14.01 |
| 11 (C) | 166.87 |
| 1' (CH) | 99.18 |
| 2' (CH) | 74.34 |
| 3' (CH) | 77.64 |
| 4' (CH) | 71.43 |
| 5' (CH) | 77.78 |
| 6' (CH2) | 62.84 |
| 6a (C) | 166.44 |
| 6b (CH) | 115.96 |
| 6c (CH) | 144.82 |
| 6d (C) | 126.9 |
| 6e (CH) | 130.64 |
| 6f (CH) | 116.47 |
| 6g (C) | 160.17 |
| 6h (CH) | 116.47 |
| 6i (CH) | 130.64 |
| 11a (CH3) | 51.28 |
