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(1R,3R,4S)-8-Phenylmenthyl (8S,9R)-6-benzyl-8-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-dithia-6-azaspiro[4.4]nonan-9-carboxylate
SpectraBase Compound ID KdrUVZ0Cqhx
InChI InChI=1S/C42H53NO4S2/c1-29-19-21-35(41(2,3)32-15-9-6-10-16-32)37(25-29)47-40(44)39-34(31-20-22-36(45-4)38(26-31)46-33-17-11-12-18-33)28-43(42(39)48-23-24-49-42)27-30-13-7-5-8-14-30/h5-10,13-16,20,22,26,29,33-35,37,39H,11-12,17-19,21,23-25,27-28H2,1-4H3/t29-,34-,35-,37-,39-/m1/s1
InChIKey ZZYAESRDWHRJMS-VIIFSGBESA-N
Mol Weight 700.0 g/mol
Molecular Formula C42H53NO4S2
Exact Mass 699.341602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31qYrsjxWtH
Name (1R,3R,4S)-8-Phenylmenthyl (8S,9R)-6-benzyl-8-(3-cyclopentyloxy-4-methoxyphenyl)-1,4-dithia-6-azaspiro[4.4]nonan-9-carboxylate
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Formula C42H53NO4S2
InChI InChI=1S/C42H53NO4S2/c1-29-19-21-35(41(2,3)32-15-9-6-10-16-32)37(25-29)47-40(44)39-34(31-20-22-36(45-4)38(26-31)46-33-17-11-12-18-33)28-43(42(39)48-23-24-49-42)27-30-13-7-5-8-14-30/h5-10,13-16,20,22,26,29,33-35,37,39H,11-12,17-19,21,23-25,27-28H2,1-4H3/t29-,34-,35-,37-,39-/m1/s1
InChIKey ZZYAESRDWHRJMS-VIIFSGBESA-N
Molecular Weight 700.009 g/mol
SMILES C12([C@@](C(O[C@]3([C@](C(c4ccccc4)(C)C)(CC[C@](C3)(C)[H])[H])[H])=O)([C@@](c3cc(OC4CCCC4)c(cc3)OC)(CN2Cc2ccccc2)[H])[H])SCCS1
SPLASH splash10-014l-4900000000-aea15f67051e72c65973
Source of Spectrum QE-7-3541-8
Synonyms (1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (8S,9R)-6-benzyl-8-[3-(cyclopentyloxy)-4-methoxyphenyl]-1,4-dithia-6-azaspiro[4.4]nonane-9-carboxylate
Wiley ID 845672