Spektraris NMR
Caudatoside F
Common Name: Caudatoside F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H32O14/c1-10-17-18(20(32)23(10)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)19(31)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=LMYIPCDGVFQAHU-JLTSQMGESA-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) | 94.95 |
| 3 (CH) | 152.81 |
| 4 (C) | 110.26 |
| 5 (CH) | 38.98 |
| 6 (CH) | 74.69 |
| 7 (CH) | 81.34 |
| 8 (CH) | 36.24 |
| 9 (CH) | 39.28 |
| 10 (CH3) | 13.89 |
| 11 (C) | 167.42 |
| 1' (CH) | 99.28 |
| 2' (CH) | 74.19 |
| 3' (CH) | 77.56 |
| 4' (CH) | 71.28 |
| 5' (CH) | 77.79 |
| 6' (CH2) | 62.63 |
| 7a (C) | 167.04 |
| 7b (CH) | 115.3 |
| 7c (CH) | 145.55 |
| 7d (C) | 127.18 |
| 7e (CH) | 115.12 |
| 7f (C) | 146.24 |
| 7g (C) | 148.79 |
| 7h (CH) | 116.33 |
| 7i (CH) | 122.21 |
| 11a (CH3) | 51.35 |
