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1,3-Cyclopentanediol, 4-(2-phenylethenyl)-5-(3-phenyl-2-propenyl)-, diacetate, [1.alpha.,3.alpha.,4.alpha.(E),5.alpha.]-
SpectraBase Compound ID 8xJ319Oq8d4
InChI InChI=1S/C26H28O4/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/h3-14,16-17,23-26H,15,18H2,1-2H3/b14-9+,17-16+/t23-,24+,25+,26-/m0/s1
InChIKey QTSGZYWBOLKXQR-GHGUKGETSA-N
Mol Weight 404.51 g/mol
Molecular Formula C26H28O4
Exact Mass 404.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39yaCeNOq9T
Name 1,3-Cyclopentanediol, 4-(2-phenylethenyl)-5-(3-phenyl-2-propenyl)-, diacetate, [1.alpha.,3.alpha.,4.alpha.(E),5.alpha.]-
Alternate Name(s) (1R,2S,3R,4S)-4-(acetyloxy)-3-[(E)-2-phenylethenyl]-2-[(2E)-3-phenyl-2-propenyl]cyclopentyl acetate 1.alpha.,4.alpha.-diacetoxy-3.alpha.-(2-phenylethenyl)-2-(3-phenylallyl)cyclo-pentane
CAS Registry Number 62788-28-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28O4
InChI InChI=1S/C26H28O4/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/h3-14,16-17,23-26H,15,18H2,1-2H3/b14-9+,17-16+/t23-,24+,25+,26-/m0/s1
InChIKey QTSGZYWBOLKXQR-GHGUKGETSA-N
Molecular Weight 404.506 g/mol
SMILES [C@@]1([C@](\C=C\c2ccccc2)([C@](C\C=C\c2ccccc2)([C@@](C1)(OC(=O)C)[H])[H])[H])(OC(=O)C)[H]
SPLASH splash10-00kf-9700000000-f4d97daa7d211398217d
Source of Spectrum F-32-2751-0
Wiley ID 1371532