Spektraris NMR
3a.11-Dihydroxy-Iso_Iphionan-4-One-11?-Xylopyranoside (3,2',3'.4'-Tetracetate)
Common Name: 3a.11-Dihydroxy-Iso_Iphionan-4-One-11?-Xylopyranoside (3,2',3'.4'-Tetracetate)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O11/c1-15(29)28-13-20(9-11-27(28,8)12-10-22(28)36-17(3)31)26(6,7)39-25-24(38-19(5)33)23(37-18(4)32)21(14-34-25)35-16(2)30/h20-25H,9-14H2,1-8H3/t20-,21+,22-,23-,24+,25-,27+,28+/m1/s1
InChIKey: InChIKey=DKYGZOVOTPMPBX-AUHMZSQUSA-N
Formula: C28H42O11
Molecular Weight: 554.627571
Exact Mass: 554.272712
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - El Ghazouly, M.G., El Sebakhy, N.A., El Din, A.A.S., Zdero, C., Bohlmann, F. Phytochemistry (1987) 26, 439-43
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Iphionanes; 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) | 37.5 |
| 2 (CH2) | 31.1 |
| 3 (CH) | 80.5 |
| 4 (C) | 213.2 |
| 5 (C) | 63.4 |
| 6 (CH2) | 21.4 |
| 7 (CH) | 44.5 |
| 8 (CH2) | 26.1 |
| 9 (CH2) | 37 |
| 10 (C) | 43.7 |
| 11 (C) | 79.9 |
| 12 (CH3) | 24.7 |
| 13 (CH3) | 22.2 |
| 14 (CH3) | 23.2 |
| 15 (CH3) | 30 |
| 1' (CH) | 95.5 |
| 2' (CH) | 71.6 |
| 3' (CH) | 72.1 |
| 4' (CH) | 69.2 |
| 5' (CH2) | 62.1 |
| 3a (C) | 169 |
| 3b (CH3) | 20.7 |
| 2'a (C) | 169.8 |
| 2'b (CH3) | 20.7 |
| 3'a (C) | 170.2 |
| 3'b (CH3) | 20.7 |
| 4'a (C) | 170.2 |
| 4'b (CH3) | 20.7 |
