.beta.-D-Glucopyranoside, 4-[(1E)-3-hydroxy-1-propen-1-yl]phenyl, pentaacetate

SpectraBase Compound ID	3Io3AdpUT6r
InChI	InChI=1S/C25H30O12/c1-14(26)31-12-6-7-19-8-10-20(11-9-19)36-25-24(35-18(5)30)23(34-17(4)29)22(33-16(3)28)21(37-25)13-32-15(2)27/h6-11,21-25H,12-13H2,1-5H3/b7-6+/t21-,22-,23+,24-,25-/m1/s1
InChIKey	OMQVUDHHTLVTKU-JDPJDOASSA-N Google Search
Mol Weight	522.5 g/mol
Molecular Formula	C25H30O12
Exact Mass	522.173726 g/mol

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SpectraBase Spectrum ID	2rxLqlaW2py
Name	.beta.-D-Glucopyranoside, 4-[(1E)-3-hydroxy-1-propen-1-yl]phenyl, pentaacetate
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	522.173726394 u
Formula	C25H30O12
InChI	InChI=1S/C25H30O12/c1-14(26)31-12-6-7-19-8-10-20(11-9-19)36-25-24(35-18(5)30)23(34-17(4)29)22(33-16(3)28)21(37-25)13-32-15(2)27/h6-11,21-25H,12-13H2,1-5H3/b7-6+/t21-,22-,23+,24-,25-/m1/s1
InChIKey	OMQVUDHHTLVTKU-JDPJDOASSA-N
Molecular Weight	522.503 g/mol
SMILES	C1=C(C=CC(=C1)\C=C\COC(=O)C)O[C@]1([C@@]([C@]([C@@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H]