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D-Mannitol, 1,3:4,6-bis-O-[(4-methoxyphenyl)methylene]-, [1(R),4(R)]-
SpectraBase Compound ID 3rsRqWUhhrQ
InChI InChI=1S/C22H26O8/c1-25-15-7-3-13(4-8-15)21-27-11-17(23)19(29-21)20-18(24)12-28-22(30-20)14-5-9-16(26-2)10-6-14/h3-10,17-24H,11-12H2,1-2H3/t17?,18?,19?,20?,21-,22-/m1/s1
InChIKey NWPMHCHSJLRWII-SMKOLOHRSA-N
Mol Weight 418.44 g/mol
Molecular Formula C22H26O8
Exact Mass 418.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FwoitPeE3H
Name D-Mannitol, 1,3:4,6-bis-O-[(4-methoxyphenyl)methylene]-, [1(R),4(R)]-
CAS Registry Number 114935-17-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O8
InChI InChI=1S/C22H26O8/c1-25-15-7-3-13(4-8-15)21-27-11-17(23)19(29-21)20-18(24)12-28-22(30-20)14-5-9-16(26-2)10-6-14/h3-10,17-24H,11-12H2,1-2H3/t17?,18?,19?,20?,21-,22-/m1/s1
InChIKey NWPMHCHSJLRWII-SMKOLOHRSA-N
Molecular Weight 418.442 g/mol
SMILES OC1CO[C@](OC1C1C(CO[C@](O1)(c1ccc(cc1)OC)[H])O)(c1ccc(cc1)OC)[H]
SPLASH splash10-000i-0910000000-29c9dd083aa2e03533a1
Source of Spectrum F-43-3814-37
Synonyms (2R)-4-[(2R)-5-hydroxy-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-2-(4-methoxyphenyl)-1,3-dioxan-5-ol 1,3(R):4,6(R)-bis-O-(4-methoxy-benzylidene)-D-mannitol
Wiley ID 1377140