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D-glycero-L-gulo-Nonitol, 2,6-anhydro-7,7,8,8-tetradehydro-7,8-dideoxy-9-O-methyl-1,3,4,5-tetrakis-O-(phenylmethyl)-
SpectraBase Compound ID DKZCknk6h4D
InChI InChI=1S/C38H40O6/c1-39-24-14-23-34-36(41-26-31-17-8-3-9-18-31)38(43-28-33-21-12-5-13-22-33)37(42-27-32-19-10-4-11-20-32)35(44-34)29-40-25-30-15-6-2-7-16-30/h2-13,15-22,34-38H,24-29H2,1H3/t34-,35-,36+,37-,38-/m1/s1
InChIKey ATMABUVDYSKCCZ-JTDOPDNRSA-N
Mol Weight 592.7 g/mol
Molecular Formula C38H40O6
Exact Mass 592.282489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DyK6BslsMKH
Name D-glycero-L-gulo-Nonitol, 2,6-anhydro-7,7,8,8-tetradehydro-7,8-dideoxy-9-O-methyl-1,3,4,5-tetrakis-O-(phenylmethyl)-
CAS Registry Number 113794-28-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H40O6
InChI InChI=1S/C38H40O6/c1-39-24-14-23-34-36(41-26-31-17-8-3-9-18-31)38(43-28-33-21-12-5-13-22-33)37(42-27-32-19-10-4-11-20-32)35(44-34)29-40-25-30-15-6-2-7-16-30/h2-13,15-22,34-38H,24-29H2,1H3/t34-,35-,36+,37-,38-/m1/s1
InChIKey ATMABUVDYSKCCZ-JTDOPDNRSA-N
Molecular Weight 592.732 g/mol
SMILES [C@]1([C@@]([C@@](COCc2ccccc2)(O[C@@]([C@@]1(OCc1ccccc1)[H])(C#CCOC)[H])[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H]
SPLASH splash10-0a4i-0900000000-0bece355c8a035c9e6be
Source of Spectrum C-110-2504-8
Synonyms (2,3,4,6-tetra-O-benzyl-.alpha.-D-glucpyranosyl)-3-methoxy-1-propyne 2,6-anhydro-1,3,4,5-tetra-O-benzyl-7,8-dideoxy-9-O-methyl-D-glycero-L-gulo-non-7-ynitol
Wiley ID 1409532