Spektraris NMR
Caudatoside A
Common Name: Caudatoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H32O12/c1-12-17-18(23(19(12)29)37-16(28)9-8-13-6-4-3-5-7-13)14(24(33)34-2)11-35-25(17)38-26-22(32)21(31)20(30)15(10-27)36-26/h3-9,11-12,15,17-23,25-27,29-32H,10H2,1-2H3/b9-8+/t12-,15+,17+,18+,19+,20+,21-,22+,23-,25-,26-/m0/s1
InChIKey: InChIKey=AWXRMPBTOKZHBB-UPGOVNAASA-N
Formula: C26H32O12
Molecular Weight: 536.526097
Exact Mass: 536.189376
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) | 152.9 |
| 4 (C) | 109.66 |
| 5 (CH) | 36.75 |
| 6 (CH) | 78.76 |
| 7 (CH) | 78.14 |
| 8 (CH) | 39.76 |
| 9 (CH) | 40 |
| 10 (CH3) | 13.99 |
| 11 (C) | 166.86 |
| 1' (CH) | 99.18 |
| 2' (CH) | 74.33 |
| 3' (CH) | 77.78 |
| 4' (CH) | 71.41 |
| 5' (CH) | 77.62 |
| 6' (CH2) | 62.82 |
| 6a (C) | 166 |
| 6b (CH) | 119.39 |
| 6c (CH) | 144.7 |
| 6d (C) | 135.29 |
| 6e (CH) | 128.73 |
| 6f (CH) | 129.56 |
| 6g (CH) | 130.82 |
| 6h (CH) | 129.56 |
| 6i (CH) | 128.73 |
| 11a (CH3) | 51.29 |
