Spektraris NMR
Viteoside A
Common Name: Viteoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H44O11/c1-14-10-17(37-15(2)30)24-26(3,4)19(39-25-23(34)22(33)21(32)18(12-29)38-25)7-8-27(24,5)28(14,35)9-6-16-11-20(31)36-13-16/h11,14,17-19,21-25,29,32-35H,6-10,12-13H2,1-5H3/t14-,17-,18-,19+,21-,22+,23-,24+,25+,27+,28-/m1/s1
InChIKey: InChIKey=NEPGDSCYPQRSNT-GBBGRNTPSA-N
Formula: C28H44O11
Molecular Weight: 556.643452
Exact Mass: 556.288362
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ono, M., Ito, Y., Nohara, T. Phytochemistry (1998) 48, 207-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 31.9 |
| 2 (CH2) | 27 |
| 3 (CH) | 88.8 |
| 4 (C) | 40.3 |
| 5 (CH) | 47.4 |
| 6 (CH) | 70.5 |
| 7 (CH2) | 37 |
| 8 (CH) | 32.4 |
| 9 (C) | 76.6 |
| 10 (C) | 43.9 |
| 11 (CH2) | 33 |
| 12 (CH2) | 23 |
| 13 (C) | 134.7 |
| 14 (CH) | 145.2 |
| 15 (C) | 174.9 |
| 16 (CH2) | 70.8 |
| 17 (CH3) | 16.4 |
| 18 (CH3) | 28.2 |
| 19 (CH3) | 18.1 |
| 20 (CH3) | 19.5 |
| 1' (CH) | 106.9 |
| 2' (CH) | 75.8 |
| 3' (CH) | 78.8 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 63 |
| 6a (C) | 170.3 |
| 6b (CH3) | 21.8 |
