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Cyclopentaneheptanoic acid, 3,5-bis(acetyloxy)-2-(2-phenylethenyl)-, methyl ester, [1.alpha.,2.alpha.(E),3.alpha.,5.alpha.]-
SpectraBase Compound ID LYsRNWxf8Li
InChI InChI=1S/C25H34O6/c1-18(26)30-23-17-24(31-19(2)27)22(16-15-20-11-7-6-8-12-20)21(23)13-9-4-5-10-14-25(28)29-3/h6-8,11-12,15-16,21-24H,4-5,9-10,13-14,17H2,1-3H3/b16-15+/t21-,22+,23+,24-/m1/s1
InChIKey UHTMQFRMWMAUKT-JHSOZVIWSA-N
Mol Weight 430.5 g/mol
Molecular Formula C25H34O6
Exact Mass 430.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTHRfpfcUmZ
Name Cyclopentaneheptanoic acid, 3,5-bis(acetyloxy)-2-(2-phenylethenyl)-, methyl ester, [1.alpha.,2.alpha.(E),3.alpha.,5.alpha.]-
CAS Registry Number 62788-29-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34O6
InChI InChI=1S/C25H34O6/c1-18(26)30-23-17-24(31-19(2)27)22(16-15-20-11-7-6-8-12-20)21(23)13-9-4-5-10-14-25(28)29-3/h6-8,11-12,15-16,21-24H,4-5,9-10,13-14,17H2,1-3H3/b16-15+/t21-,22+,23+,24-/m1/s1
InChIKey UHTMQFRMWMAUKT-JHSOZVIWSA-N
Molecular Weight 430.541 g/mol
SMILES [C@]1([C@@](\C=C\c2ccccc2)([C@@](CCCCCCC(=O)OC)([C@](C1)(OC(=O)C)[H])[H])[H])(OC(=O)C)[H]
SPLASH splash10-052g-9400000000-c529d42997d00e2b12b5
Source of Spectrum F-32-2751-0
Synonyms Methyl 7-{(1R,2S,3R,5S)-3,5-bis(acetyloxy)-2-[(E)-2-phenylethenyl]cyclopentyl}heptanoate r-1-acetoxy-2-c-(2'-phenyl-ethenyl)-3-c-(6'-methoxycarbonylhexyl)-4-c-acetoxycyclopentane
Wiley ID 1381603