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1,3-Cyclopentanediol, 4-(2-phenylethyl)-5-(3-phenylpropyl)-, diacetate, (1.alpha.,3.alpha.,4.alpha.,5.alpha.)-
SpectraBase Compound ID 59hZltp6rmr
InChI InChI=1S/C26H32O4/c1-19(27)29-25-18-26(30-20(2)28)24(17-16-22-12-7-4-8-13-22)23(25)15-9-14-21-10-5-3-6-11-21/h3-8,10-13,23-26H,9,14-18H2,1-2H3/t23-,24+,25+,26-/m0/s1
InChIKey HIFINNXXUUANID-QUMGSSFMSA-N
Mol Weight 408.5 g/mol
Molecular Formula C26H32O4
Exact Mass 408.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4plQTlMWGT9
Name 1,3-Cyclopentanediol, 4-(2-phenylethyl)-5-(3-phenylpropyl)-, diacetate, (1.alpha.,3.alpha.,4.alpha.,5.alpha.)-
Alternate Name(s) (1R,2S,3R,4S)-4-(acetyloxy)-3-(2-phenylethyl)-2-(3-phenylpropyl)cyclopentyl acetate cis-1.alpha.,4.alpha.-diacetoxy-2.alpha.-(2-phenylethyl)-3.alpha.-(3-phenylpropyl)cyclopentane
CAS Registry Number 62788-26-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32O4
InChI InChI=1S/C26H32O4/c1-19(27)29-25-18-26(30-20(2)28)24(17-16-22-12-7-4-8-13-22)23(25)15-9-14-21-10-5-3-6-11-21/h3-8,10-13,23-26H,9,14-18H2,1-2H3/t23-,24+,25+,26-/m0/s1
InChIKey HIFINNXXUUANID-QUMGSSFMSA-N
Molecular Weight 408.538 g/mol
SMILES [C@@]1([C@@]([C@](CCCc2ccccc2)([C@@](C1)(OC(=O)C)[H])[H])(CCc1ccccc1)[H])(OC(=O)C)[H]
SPLASH splash10-0006-9100000000-8584ae993a7001587bc2
Source of Spectrum F-32-2751-0
Wiley ID 1373126