Spektraris NMR
1α,2α,8β,13-tetraacetoxy-9α-benzoyloxy-4β,6β-dihydroxy-β-dihydroagaro-furan
Common Name: 1α,2α,8β,13-tetraacetoxy-9α-benzoyloxy-4β,6β-dihydroxy-β-dihydroagaro-furan
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O13/c1-15(31)38-14-29-24(41-18(4)34)20(39-16(2)32)13-28(7,37)30(29)23(35)21(27(5,6)43-30)22(40-17(3)33)25(29)42-26(36)19-11-9-8-10-12-19/h8-12,20-25,35,37H,13-14H2,1-7H3/t20-,21+,22-,23+,24-,25+,28-,29-,30-/m0/s1
InChIKey: InChIKey=NCGQUVSDYGMJGN-HNQVONDTSA-N
Formula: C30H38O13
Molecular Weight: 606.61609
Exact Mass: 606.231241
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) | 74.92 |
| 2 (CH) | 67.3 |
| 3 (CH2) | 40.99 |
| 4 (C) | 72.04 |
| 5 (C) | 91.37 |
| 6 (CH) | 76.81 |
| 7 (CH) | 53.47 |
| 8 (CH) | 73.83 |
| 9 (CH) | 75.39 |
| 10 (C) | 50.67 |
| 11 (C) | 84.47 |
| 12 (CH3) | 26.11 |
| 13 (CH3) | 29.94 |
| 14 (CH2) | 61.35 |
| 15 (CH3) | 24.29 |
| 1a (C) | 169.32 |
| 1b (CH3) | 20.38 |
| 2a (C) | 169.46 |
| 2b (CH3) | 20.72 |
| 8a (C) | 169.92 |
| 8b (CH3) | 21.02 |
| 9a (C) | 165.65 |
| 9b (C) | 129.37 |
| 9c (CH) | 129.18 |
| 9d (CH) | 133.38 |
| 9e (CH) | 128.62 |
| 9f (CH) | 133.38 |
| 9g (CH) | 129.18 |
| 14a (C) | 170.17 |
| 14b (CH3) | 21.33 |
