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2-O-Allyl-1,3-di-O-benzyl-4,5-O-isopropylidene-D-ribitol
SpectraBase Compound ID 44T6CfpGhI4
InChI InChI=1S/C25H32O5/c1-4-15-27-22(18-26-16-20-11-7-5-8-12-20)24(23-19-29-25(2,3)30-23)28-17-21-13-9-6-10-14-21/h4-14,22-24H,1,15-19H2,2-3H3/t22-,23+,24-/m0/s1
InChIKey IRLRTZPXFIRAIR-VXNXHJTFSA-N
Mol Weight 412.5 g/mol
Molecular Formula C25H32O5
Exact Mass 412.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LxeMcWPqDju
Name 2-O-Allyl-1,3-di-O-benzyl-4,5-O-isopropylidene-D-ribitol
Alternate Name(s) 2-O-allyl-1,3-di-O-benzyl-4,5-O-(1-methylethylidene)-D-ribitol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O5
InChI InChI=1S/C25H32O5/c1-4-15-27-22(18-26-16-20-11-7-5-8-12-20)24(23-19-29-25(2,3)30-23)28-17-21-13-9-6-10-14-21/h4-14,22-24H,1,15-19H2,2-3H3/t22-,23+,24-/m0/s1
InChIKey IRLRTZPXFIRAIR-VXNXHJTFSA-N
Molecular Weight 412.526 g/mol
SMILES [C@@]1(OC(C)(C)OC1)([C@@](OCc1ccccc1)([C@@](OCC=C)(COCc1ccccc1)[H])[H])[H]
SPLASH splash10-0006-9000000000-03ff800a5ec21e7e4e82
Source of Spectrum KC-57-1578-37
Wiley ID 1622957