1α,2α,6β,8α-tetraacetoxy-9β-furancarboxyloxy-13-nicotinoyloxy-4β- hydroxy-β-dihydroagarofuran

1α,2α,6β,8α-tetraacetoxy-9β-furancarboxyloxy-13-nicotinoyloxy-4β- hydroxy-β-dihydroagarofuran

Common Name: 1α,2α,6β,8α-tetraacetoxy-9β-furancarboxyloxy-13-nicotinoyloxy-4β- hydroxy-β-dihydroagarofuran

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C34H39NO15/c1-17(36)45-23-13-32(7,42)34-27(48-20(4)39)24(31(5,6)50-34)25(46-18(2)37)28(49-30(41)22-10-12-43-15-22)33(34,26(23)47-19(3)38)16-44-29(40)21-9-8-11-35-14-21/h8-12,14-15,23-28,42H,13,16H2,1-7H3/t23-,24+,25+,26-,27+,28-,32-,33-,34-/m0/s1

InChIKey: InChIKey=FWCJFALCBHRULP-CXLFPPGGSA-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) 75.21
2 (CH) 67.66
3 (CH2) 41.81
4 (C) 69.84
5 (C) 91.27
6 (CH) 77.51
7 (CH) 53.52
8 (CH) 70.49
9 (CH) 71.99
10 (C) 54.25
11 (C) 83.07
12 (CH3) 25.47
13 (CH3) 29.41
14 (CH2) 65.73
15 (CH3) 24.19
1a (C) 169.35
1b (CH3) 20.37
2a (C) 169.65
2b (CH3) 21.01
6a (C) 169.72
6b (CH3) 21.8
8a (C) 170.32
8b (CH3) 21.36
9a (C) 160.61
9b (C) 109.67
9c (CH) 117.83
9d (CH) 144
9e (CH) 148.9
14a (C) 164.05
14b (C) 125.62
14c (CH) 151.17
14d (CH) 153.81
14e (CH) 123.32
14f (CH) 137.29