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1H-Cyclopent[c]isoxazole-1-carboxylic acid, hexahydro-4,5,6-trihydroxy-, phenyl ester, [3aR-(3a.alpha.,4.alpha.,5.beta.,6.alpha.,6a.alpha.)]-
SpectraBase Compound ID 4Wa915KGywY
InChI InChI=1S/C35H35NO6/c37-35(42-29-19-11-4-12-20-29)36-25-38-24-30-31(36)33(40-22-27-15-7-2-8-16-27)34(41-23-28-17-9-3-10-18-28)32(30)39-21-26-13-5-1-6-14-26/h1-20,30-34H,21-25H2
InChIKey JMVLXWYAAKLSMV-UHFFFAOYSA-N
Mol Weight 565.7 g/mol
Molecular Formula C35H35NO6
Exact Mass 565.246438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jNVbAPn4RE
Name 1H-Cyclopent[c]isoxazole-1-carboxylic acid, hexahydro-4,5,6-trihydroxy-, phenyl ester, [3aR-(3a.alpha.,4.alpha.,5.beta.,6.alpha.,6a.alpha.)]-
Alternate Name(s) (1L)-(1,2,4/3,5)-1',2'-anhydro-3,4,5-tri-O-benzyl-1-hydroxymethyl-2-[N-hydroxymethyl-N-(phenoxycarbonyl)amino]-3,4,5-cyclpentantriol phenyl 5,6,7-tris(benzyloxy)hexahydrocyclopenta[d][1,3]oxazine-1(2H)-carboxylate
CAS Registry Number 73111-34-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H35NO6
InChI InChI=1S/C35H35NO6/c37-35(42-29-19-11-4-12-20-29)36-25-38-24-30-31(36)33(40-22-27-15-7-2-8-16-27)34(41-23-28-17-9-3-10-18-28)32(30)39-21-26-13-5-1-6-14-26/h1-20,30-34H,21-25H2
InChIKey JMVLXWYAAKLSMV-UHFFFAOYSA-N
Molecular Weight 565.666 g/mol
SMILES C12N(COCC2C(OCc2ccccc2)C(C1OCc1ccccc1)OCc1ccccc1)C(Oc1ccccc1)=O
SPLASH splash10-0006-9000000000-cb281b19e1d53c4060e1
Source of Spectrum H-62-2011-0
Wiley ID 1407242