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137895-71-7 | 2-Pyrrolidineacetamide, 1-(O-5-deoxy-β-D-arabinofuranosyl-(1→4)-O-β-D-arabinopyranosyl-(1→2)-β-D-xylopyranosyl)-4-[(2E,4E,6E,8E,10E,12E)-11,13-dichloro-1-hydroxy-2,4,6,8,10,12-tetradecahexaenylidene]-3,5-dioxo-, (2S,4E)- (9CI)
CAS No: 137895-71-7 Catalog No: AG00141P MDL No:
Product Description
Catalog Number:
AG00141P
Chemical Name:
2-Pyrrolidineacetamide, 1-(O-5-deoxy-β-D-arabinofuranosyl-(1→4)-O-β-D-arabinopyranosyl-(1→2)-β-D-xylopyranosyl)-4-[(2E,4E,6E,8E,10E,12E)-11,13-dichloro-1-hydroxy-2,4,6,8,10,12-tetradecahexaenylidene]-3,5-dioxo-, (2S,4E)- (9CI)
CAS Number:
137895-71-7
IUPAC Name:
2-[(2S,4Z)-4-[(2E,4E,6E,8E,10Z,12E)-11,13-dichloro-1-hydroxytetradeca-2,4,6,8,10,12-hexaenylidene]-1-[(3S,4R,5R)-3-[(2S,3S,4R,5R)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]-3,5-dioxopyrrolidin-2-yl]acetamide
InChI:
InChI=1S/C35H44Cl2N2O15/c1-16(36)12-18(37)10-8-6-4-3-5-7-9-11-20(40)24-26(44)19(13-23(38)42)39(32(24)49)33-31(27(45)21(41)14-50-33)54-34-30(48)28(46)22(15-51-34)53-35-29(47)25(43)17(2)52-35/h3-12,17,19,21-22,25,27-31,33-35,40-41,43,45-48H,13-15H2,1-2H3,(H2,38,42)/b4-3+,7-5+,8-6+,11-9+,16-12+,18-10-,24-20-/t17-,19+,21-,22-,25-,27-,28+,29+,30+,31+,33?,34+,35+/m1/s1
InChI Key:
YZIOORMSEXDTKB-MONMVOPGSA-N
Properties
Complexity:
1600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
12
Defined Bond Stereocenter Count:
7
Exact Mass:
802.212g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
803.636g/mol
Monoisotopic Mass:
802.212g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
268A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Aurantosides D, E, and F: new antifungal tetramic acid glycosides from the marine sponge Siliquariaspongia japonica. | Journal of natural products 19990701 |
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