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1H-Isoindole-1,3(2H)-dione, hexahydro-2-[(1-hydroxycyclohexyl)methyl]-3a,7a-bis(phenylmethyl)-, cis-
SpectraBase Compound ID FHYSBsN8KUS
InChI InChI=1S/C29H35NO3/c31-25-28(20-23-12-4-1-5-13-23)18-10-11-19-29(28,21-24-14-6-2-7-15-24)26(32)30(25)22-27(33)16-8-3-9-17-27/h1-2,4-7,12-15,33H,3,8-11,16-22H2/t28-,29+
InChIKey JVVKRDPBBYCBGA-ISILISOKSA-N
Mol Weight 445.6 g/mol
Molecular Formula C29H35NO3
Exact Mass 445.261694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Lr3MyNGkBi
Name 1H-Isoindole-1,3(2H)-dione, hexahydro-2-[(1-hydroxycyclohexyl)methyl]-3a,7a-bis(phenylmethyl)-, cis-
CAS Registry Number 64090-40-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H35NO3
InChI InChI=1S/C29H35NO3/c31-25-28(20-23-12-4-1-5-13-23)18-10-11-19-29(28,21-24-14-6-2-7-15-24)26(32)30(25)22-27(33)16-8-3-9-17-27/h1-2,4-7,12-15,33H,3,8-11,16-22H2/t28-,29+
InChIKey JVVKRDPBBYCBGA-ISILISOKSA-N
Molecular Weight 445.603 g/mol
SMILES OC1(CN2C([C@]3(Cc4ccccc4)CCCC[C@@]3(C2=O)Cc2ccccc2)=O)CCCCC1
SPLASH splash10-052g-9488100000-24b2b00d26fcee414e8d
Source of Spectrum H-60-1469-0
Synonyms (3aR,7aS)-3a,7a-dibenzyl-2-[(1-hydroxycyclohexyl)methyl]hexahydro-1H-isoindole-1,3(2H)-dione cis-1,2-dibenzyl-N-((1-hydroxy-1-cyclohexyl)-methyl)-cyclohexane-1,2-dicarboximide
Wiley ID 1386411