NS00126805 structure

NS00126805

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl 3-phenylprop-2-enoate

Also Known As: [(2R,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-{[(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO[4.4.0.0(2),?]DEC-7-EN-10-YL]OXY}OXAN-2-YL]METHYL (2E)-3-PHENYLPROP-2-ENOATE

CAS: 27409-30-9
Molecular Formula C24H28O11
Molecular Weight 492.16315 g/mol
LogP -1.326
Topological Polar Surface Area 167.67 Ų
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 11
Rotatable Bonds 7
Exact Mass 492.16315
Monoisotopic Mass 492.16315
Heavy Atoms 35
Complexity 967.47687

Chemical Identifiers

CAS Number 27409-30-9
SMILES C1=CC=C(C=C1)C=CC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4[C@@H](C=CO3)[C@@H]([C@H]5[C@@]4(O5)CO)O)O)O)O

Product Overview

NS00126805 (CAS 27409-30-9), with molecular formula C24H28O11 and molecular weight 492.16315 g/mol. IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl 3-phenylprop-2-enoate.

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