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2H-Cyclopenta[b]furan-2-one, 5-(benzoyloxy)hexahydro-4-(4-hydroxy-2-butenyl)-, [3aR-[3a.alpha.,4.alpha.(E),5.beta.,6a.alpha.]]-
SpectraBase Compound ID uA3eVIDuon
InChI InChI=1S/C18H20O5/c19-9-5-4-8-13-14-10-17(20)22-16(14)11-15(13)23-18(21)12-6-2-1-3-7-12/h1-7,13-16,19H,8-11H2/b5-4+/t13-,14-,15-,16+/m1/s1
InChIKey XNJANPLCRDJQEU-UNOIKEQMSA-N
Mol Weight 316.35 g/mol
Molecular Formula C18H20O5
Exact Mass 316.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8sozY6dbp8h
Name 2H-Cyclopenta[b]furan-2-one, 5-(benzoyloxy)hexahydro-4-(4-hydroxy-2-butenyl)-, [3aR-[3a.alpha.,4.alpha.(E),5.beta.,6a.alpha.]]-
CAS Registry Number 131543-63-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O5
InChI InChI=1S/C18H20O5/c19-9-5-4-8-13-14-10-17(20)22-16(14)11-15(13)23-18(21)12-6-2-1-3-7-12/h1-7,13-16,19H,8-11H2/b5-4+/t13-,14-,15-,16+/m1/s1
InChIKey XNJANPLCRDJQEU-UNOIKEQMSA-N
Molecular Weight 316.353 g/mol
SMILES OC\C=C\C[C@@]1([C@@]2([C@@](OC(=O)C2)(C[C@]1(OC(=O)c1ccccc1)[H])[H])[H])[H]
SPLASH splash10-0a6u-0900000000-a85a2d9e6bf818c425c4
Source of Spectrum J-56-1331-9
Synonyms (3aR,4R,5R,6aS)-4-[(2E)-4-hydroxy-2-butenyl]-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate (3aR,4R,5R,6aS)-5-(benzoyloxy)hexahydro-4-(4-hydroxy-2(E)-butenyl)-2H-cyclopenta[b]furan-2-one
Wiley ID 1316802