Spektraris NMR
Yessotoxin 32-O-[b-L-arabino-furanosyl-(5-->1'')-b-L-arabinofuranoside]
![Yessotoxin 32-O-[b-L-arabino-furanosyl-(5-->1'')-b-L-arabinofuranoside]](/nmr/static/nmr/svg/13428.svg)
Common Name: Yessotoxin 32-O-[b-L-arabino-furanosyl-(5-->1'')-b-L-arabinofuranoside]
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C65H98O29S2/c1-10-11-30(2)12-15-61(5,71)57-32(4)20-41-40(86-57)26-50-65(9,92-41)58(90-60-54(70)52(68)46(88-60)29-78-59-53(69)51(67)45(28-66)87-59)56-44(85-50)24-43-55(89-56)31(3)13-16-63(7)48(84-43)27-47-64(8,94-63)17-14-33-34(83-47)21-36-35(80-33)22-37-38(81-36)23-42-39(82-37)25-49(93-96(75,76)77)62(6,91-42)18-19-79-95(72,73)74/h10,12,15,31,33-60,66-71H,1-2,4,11,13-14,16-29H2,3,5-9H3,(H,72,73,74)(H,75,76,77)/b15-12+/t31-,33-,34+,35+,36-,37-,38+,39+,40+,41-,42-,43-,44+,45+,46+,47-,48+,49-,50-,51+,52+,53-,54-,55+,56+,57-,58+,59+,60-,61+,62+,63-,64+,65-/m0/s1
InChIKey: InChIKey=LCDNYCUFWKCMQQ-BWWWTDHISA-N
Formula: C65H98O29S2
Molecular Weight: 1407.590939
Exact Mass: 1406.563519
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Miles, C.O., Wilkins, A.L., Hawkes, A.D., Selwood, A.I., Jensen, D.J., Cooney, J.M., Beuzenberg, V., MacKenzie, A.L. Toxicon (2006) 47, 229-40
Species:
Notes: Family : Polyketides, Type : Polycyclic-ethers; 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 (CH2) | 65.1 |
| 2 (CH2) | 40.4 |
| 3 (C) | 76.7 |
| 4 (CH) | 78.8 |
| 5 (CH2) | 32.8 |
| 6 (C) | 78.5 |
| 7 (C) | 70.7 |
| 8 (CH2) | 36.5 |
| 9 (C) | 78.3 |
| 10 (C) | 78.4 |
| 11 (CH2) | 36.2 |
| 12 (C) | 77.7 |
| 13 (C) | 78.1 |
| 14 (CH2) | 38 |
| 15 (CH) | 81.2 |
| 16 (CH) | 82.2 |
| 17 (CH2) | 30.2 |
| 18 (CH2) | 41.1 |
| 19 (C) | 78.5 |
| 20 (CH) | 82.6 |
| 21 (CH2) | 33.1 |
| 22 (CH) | 87.6 |
| 23 (C) | 77 |
| 24 (CH2) | 46.9 |
| 25 (CH2) | 32.6 |
| 26 (CH) | 40.6 |
| 27 (CH) | 89.6 |
| 28 (CH) | 84 |
| 29 (CH2) | 40 |
| 30 (CH) | 73.7 |
| 31 (CH) | 79.1 |
| 32 (CH) | 75 |
| 33 (C) | 78.6 |
| 34 (CH) | 73.9 |
| 35 (CH2) | 31.7 |
| 36 (CH) | 73.3 |
| 37 (CH) | 72.9 |
| 38 (CH2) | 39.2 |
| 39 (C) | 143 |
| 40 (CH) | 85.1 |
| 41 (C) | 78.5 |
| 42 (CH) | 136.7 |
| 43 (CH) | 130.7 |
| 44 (C) | 145.5 |
| 45 (CH2) | 37.9 |
| 46 (CH) | 137.7 |
| 47 (CH2) | 116.4 |
| 48 (CH3) | 16.1 |
| 49 (CH3) | 23.8 |
| 50 (CH3) | 20.6 |
| 51 (CH3) | 22.8 |
| 52 (CH3) | 15.5 |
| 53 (CH2) | 115.6 |
| 54 (CH3) | 26.1 |
| 55 (CH2) | 116.5 |
| 1' (CH) | 103 |
| 2' (CH) | 73.9 |
| 3' (CH) | 73.1 |
| 4' (CH) | 85.9 |
| 5' (CH2) | 68.8 |
| 1'' (CH) | 103.9 |
| 2'' (CH) | 73.2 |
| 3'' (CH) | 71.2 |
| 4'' (CH) | 86.9 |
| 5'' (CH2) | 63.3 |
