Spektraris NMR
1α, 2α, 6β, 13-tetraacetoxy-8α-nicotinoyloxy-9α-furancarbonyloxy-4β-hydroxy-β-dihydroagarofuran
Common Name: 1α, 2α, 6β, 13-tetraacetoxy-8α-nicotinoyloxy-9α-furancarbonyloxy-4β-hydroxy-β-dihydroagarofuran
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H39NO15/c1-17(36)44-16-33-26(46-19(3)38)23(45-18(2)37)13-32(7,42)34(33)27(47-20(4)39)24(31(5,6)50-34)25(48-29(40)21-9-8-11-35-14-21)28(33)49-30(41)22-10-12-43-15-22/h8-12,14-15,23-28,42H,13,16H2,1-7H3/t23-,24+,25+,26-,27+,28+,32-,33-,34-/m0/s1
InChIKey: InChIKey=ABAGHXFECGIRKT-BGFKHHOWSA-N
Formula: C34H39N1O15
Molecular Weight: 701.672527
Exact Mass: 701.23197
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhiqing, J., Qidong, Z., Baojun, S., Shaopeng, W., Mingan, W., Wenjun, W. Nat Prod Res (2009) 23, 470-8
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) | 70.14 |
| 2 (CH) | 67.98 |
| 3 (CH2) | 41.95 |
| 4 (C) | 69.81 |
| 5 (C) | 90.73 |
| 6 (CH) | 76.33 |
| 7 (CH) | 53.85 |
| 8 (CH) | 69.75 |
| 9 (CH) | 67.22 |
| 10 (C) | 53.69 |
| 11 (C) | 84.88 |
| 12 (CH3) | 26.12 |
| 13 (CH3) | 29.9 |
| 14 (CH2) | 65.65 |
| 15 (CH3) | 25.1 |
| 1a (C) | 169.31 |
| 1b (CH3) | 20.33 |
| 2a (C) | 169.2 |
| 2b (CH3) | 20.51 |
| 6a (C) | 169.81 |
| 6b (CH3) | 21.24 |
| 8a (C) | 165.39 |
| 8b (C) | 125.28 |
| 8c (CH) | 151.23 |
| 8d (CH) | 153.87 |
| 8e (CH) | 123.59 |
| 8f (CH) | 137.4 |
| 9a (C) | 161.7 |
| 9b (C) | 109.77 |
| 9c (CH) | 118 |
| 9d (CH) | 143.97 |
| 9e (CH) | 148.82 |
| 14a (C) | 169.56 |
| 14b (CH3) | 21.09 |
