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Methyl [2S,-1[S*,[1R*,1(E),2S*]],2.alpha.,5.beta.]]-1-(4,8-Dimethyl-3,7-nondienyl)-2-[1-[2,5-dimethyl-1-pyrrolidinyl)carbonyl]-4-(phenylmethoxy)butyl]cyclopentanecarboxylate
SpectraBase Compound ID 39hNFWSEU3S
InChI InChI=1S/C36H55NO4/c1-26(2)13-10-14-27(3)15-11-18-31-32(22-23-34(31)36(39)40-6)33(35(38)37-28(4)20-21-29(37)5)19-12-24-41-25-30-16-8-7-9-17-30/h7-9,13,15-17,28-29,31-34H,10-12,14,18-25H2,1-6H3/b27-15+/t28?,29?,31?,32-,33-,34-/m1/s1
InChIKey IFGQPKYHGYSGEW-PVJZKLHQSA-N
Mol Weight 565.8 g/mol
Molecular Formula C36H55NO4
Exact Mass 565.413109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ih58JchlQd
Name Methyl [2S,-1[S*,[1R*,1(E),2S*]],2.alpha.,5.beta.]]-1-(4,8-Dimethyl-3,7-nondienyl)-2-[1-[2,5-dimethyl-1-pyrrolidinyl)carbonyl]-4-(phenylmethoxy)butyl]cyclopentanecarboxylate
Alternate Name(s) Methyl (1R,3R)-3-{(1R)-4-(benzyloxy)-1-[(2,5-dimethyl-1-pyrrolidinyl)carbonyl]butyl}-2-[(3E)-4,8-dimethyl-3,7-nonadienyl]cyclopentanecarboxylate
CAS Registry Number 138517-50-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H55NO4
InChI InChI=1S/C36H55NO4/c1-26(2)13-10-14-27(3)15-11-18-31-32(22-23-34(31)36(39)40-6)33(35(38)37-28(4)20-21-29(37)5)19-12-24-41-25-30-16-8-7-9-17-30/h7-9,13,15-17,28-29,31-34H,10-12,14,18-25H2,1-6H3/b27-15+/t28?,29?,31?,32-,33-,34-/m1/s1
InChIKey IFGQPKYHGYSGEW-PVJZKLHQSA-N
Molecular Weight 565.839 g/mol
SMILES C(N1C(CCC1C)C)([C@@]([C@]1(C([C@](C(=O)OC)(CC1)[H])CC\C=C\(CCC=C(C)C)C)[H])(CCCOCc1ccccc1)[H])=O
SPLASH splash10-000f-9050210000-b306645506f770c002d8
Source of Spectrum J-57-2572-12
Wiley ID 1407245