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D-allo-Octitol, 4,7-anhydro-2,2,3,3-tetradehydro-2,3-dideoxy-1-O-methyl-5,6,8-tris-O-(phenylmethyl)-
SpectraBase Compound ID 6Ky7a9o6Byh
InChI InChI=1S/C30H32O5/c1-31-19-11-18-27-29(33-21-25-14-7-3-8-15-25)30(34-22-26-16-9-4-10-17-26)28(35-27)23-32-20-24-12-5-2-6-13-24/h2-10,12-17,27-30H,19-23H2,1H3/t27-,28-,29+,30-/m0/s1
InChIKey WUMKHSXXWNKSGM-ZXYZSCNASA-N
Mol Weight 472.6 g/mol
Molecular Formula C30H32O5
Exact Mass 472.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GMipyjTUT
Name D-allo-Octitol, 4,7-anhydro-2,2,3,3-tetradehydro-2,3-dideoxy-1-O-methyl-5,6,8-tris-O-(phenylmethyl)-
Alternate Name(s) (2,3,5-tri-O-benzyl-.alpha.-D-ribosyl)-.beta.-methoxy-1-propyne 4,7-anhydro-5,6,8-tri-O-benzyl-2,3-dideoxy-1-O-methyl-L-altro-oct-2-ynitol
CAS Registry Number 113889-67-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H32O5
InChI InChI=1S/C30H32O5/c1-31-19-11-18-27-29(33-21-25-14-7-3-8-15-25)30(34-22-26-16-9-4-10-17-26)28(35-27)23-32-20-24-12-5-2-6-13-24/h2-10,12-17,27-30H,19-23H2,1H3/t27-,28-,29+,30-/m0/s1
InChIKey WUMKHSXXWNKSGM-ZXYZSCNASA-N
Molecular Weight 472.581 g/mol
SMILES [C@@]1([C@@]([C@](C#CCOC)(O[C@]1(COCc1ccccc1)[H])[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H]
SPLASH splash10-052f-9800000000-b4f0781ca29af462e0b8
Source of Spectrum C-110-2504-17
Wiley ID 1393467