Spektraris NMR
1α,2α,6β,13-tetraacetoxy-8α,9β-difuran-carboxyloxy-4β-hydroxy-β-dihydroagarofuran
Common Name: 1α,2α,6β,13-tetraacetoxy-8α,9β-difuran-carboxyloxy-4β-hydroxy-β-dihydroagarofuran
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H38O16/c1-16(34)43-15-32-25(45-18(3)36)22(44-17(2)35)12-31(7,40)33(32)26(46-19(4)37)23(30(5,6)49-33)24(47-28(38)20-8-10-41-13-20)27(32)48-29(39)21-9-11-42-14-21/h8-11,13-14,22-27,40H,12,15H2,1-7H3/t22-,23+,24+,25-,26+,27-,31-,32-,33-/m0/s1
InChIKey: InChIKey=HOOFPQHMNHAFGX-GUHKNJDRSA-N
Formula: C33H38O16
Molecular Weight: 690.646512
Exact Mass: 690.215985
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, Q., Ji, Z., Wang, M., Wu, W. Nat Prod Res (2009) 23, 1402-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Agarofurans; 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) | 75.25 |
| 2 (CH) | 67.71 |
| 3 (CH2) | 41.81 |
| 4 (C) | 69.79 |
| 5 (C) | 91.2 |
| 6 (CH) | 76.43 |
| 7 (CH) | 53.68 |
| 8 (CH) | 70.44 |
| 9 (CH) | 71.55 |
| 10 (C) | 54.25 |
| 11 (C) | 83.01 |
| 12 (CH3) | 25.41 |
| 13 (CH3) | 29.37 |
| 14 (CH2) | 65.43 |
| 15 (CH3) | 24.23 |
| 1a (C) | 169.34 |
| 1b (CH3) | 20.32 |
| 2a (C) | 169.58 |
| 2b (CH3) | 20.94 |
| 6a (C) | 169.7 |
| 6b (CH3) | 20.97 |
| 8a (C) | 160.41 |
| 8b (C) | 109.67 |
| 8c (CH) | 117.96 |
| 8d (CH) | 143.89 |
| 8e (CH) | 148.56 |
| 9a (C) | 160.41 |
| 9b (C) | 109.67 |
| 9c (CH) | 117.96 |
| 9d (CH) | 143.89 |
| 9e (CH) | 148.56 |
| 14a (C) | 170.34 |
| 14b (CH3) | 21.36 |
