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1,3-Cyclopentanediol, 4-(7-methoxyheptyl)-5-(2-phenylethyl)-, diacetate, (1.alpha.,3.alpha.,4.alpha.,5.alpha.)-
SpectraBase Compound ID CRa90DW6mE6
InChI InChI=1S/C25H38O5/c1-19(26)29-24-18-25(30-20(2)27)23(16-15-21-12-8-7-9-13-21)22(24)14-10-5-4-6-11-17-28-3/h7-9,12-13,22-25H,4-6,10-11,14-18H2,1-3H3/t22-,23+,24+,25-/m1/s1
InChIKey KVTVXDDKCPIRQJ-WSOYEBOPSA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H38O5
Exact Mass 418.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lLvJMYa4AT
Name 1,3-Cyclopentanediol, 4-(7-methoxyheptyl)-5-(2-phenylethyl)-, diacetate, (1.alpha.,3.alpha.,4.alpha.,5.alpha.)-
Alternate Name(s) (1R,2S,3R,4S)-4-(acetyloxy)-3-(7-methoxyheptyl)-2-(2-phenylethyl)cyclopentyl acetate cis-1.alpha.,4.alpha.-diacetoxy-2.alpha.-(7-methoxyheptyl)-3-(2-phenylethyl)cyclopentane
CAS Registry Number 62788-25-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O5
InChI InChI=1S/C25H38O5/c1-19(26)29-24-18-25(30-20(2)27)23(16-15-21-12-8-7-9-13-21)22(24)14-10-5-4-6-11-17-28-3/h7-9,12-13,22-25H,4-6,10-11,14-18H2,1-3H3/t22-,23+,24+,25-/m1/s1
InChIKey KVTVXDDKCPIRQJ-WSOYEBOPSA-N
Molecular Weight 418.574 g/mol
SMILES [C@]1([C@]([C@@](CCCCCCCOC)([C@](C1)(OC(=O)C)[H])[H])(CCc1ccccc1)[H])(OC(=O)C)[H]
SPLASH splash10-0udi-0920000000-8b8a5102a8fcf2846e0b
Source of Spectrum F-32-2751-0
Wiley ID 1377317