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)
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 |