For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1H-Cyclopent[c]isoxazole, hexahydro-1-methyl-4,5,6-tris(phenylmethoxy)-, [3aS-(3a.alpha.,4.beta.,5.alpha.,6.beta.,6a.alpha.)]-
SpectraBase Compound ID Hd7YJRBugoj
InChI InChI=1S/C28H31NO4/c1-29-25-24(20-33-29)26(30-17-21-11-5-2-6-12-21)28(32-19-23-15-9-4-10-16-23)27(25)31-18-22-13-7-3-8-14-22/h2-16,24-28H,17-20H2,1H3/t24-,25+,26-,27+,28+/m1/s1
InChIKey YWGHQAUCYFKZTO-VFHRMQJUSA-N
Mol Weight 445.56 g/mol
Molecular Formula C28H31NO4
Exact Mass 445.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2eI4Rc509ut
Name 1H-Cyclopent[c]isoxazole, hexahydro-1-methyl-4,5,6-tris(phenylmethoxy)-, [3aS-(3a.alpha.,4.beta.,5.alpha.,6.beta.,6a.alpha.)]-
CAS Registry Number 73174-54-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H31NO4
InChI InChI=1S/C28H31NO4/c1-29-25-24(20-33-29)26(30-17-21-11-5-2-6-12-21)28(32-19-23-15-9-4-10-16-23)27(25)31-18-22-13-7-3-8-14-22/h2-16,24-28H,17-20H2,1H3/t24-,25+,26-,27+,28+/m1/s1
InChIKey YWGHQAUCYFKZTO-VFHRMQJUSA-N
Molecular Weight 445.559 g/mol
SMILES [C@]12([C@@]([C@](OCc3ccccc3)([C@]([C@@]1(OCc1ccccc1)[H])(OCc1ccccc1)[H])[H])(N(C)OC2)[H])[H]
SPLASH splash10-0006-9110000000-87176741235c8c5805cb
Source of Spectrum H-62-2406-0
Synonyms (3aS,4R,5S,6S,6aS)-4,5,6-tris(benzyloxy)-1-methylhexahydro-1H-cyclopenta[c]isoxazole 1d-(1,2,5/3,4)-1',2'-anhydro-3,4,-tri-O-benzyl-1-hydroxymethyl-2-(hydroxymethylamino)-3,4,5-cyclopentantriol
Wiley ID 1386401