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2H-Cyclopenta[b]furan-2-one, 5-(benzoyloxy)hexahydro-4-[3-hydroxy-4-phenoxy-2-(phenylthio)butyl]-, [3aR-[3a.alpha.,4.alpha.(2R*,3S*),5.b eta.,6a.alpha.]]-
SpectraBase Compound ID 7CosvX7cRcO
InChI InChI=1S/C30H30O6S/c31-25(19-34-21-12-6-2-7-13-21)28(37-22-14-8-3-9-15-22)16-23-24-17-29(32)35-26(24)18-27(23)36-30(33)20-10-4-1-5-11-20/h1-15,23-28,31H,16-19H2/t23-,24-,25+,26+,27-,28-/m1/s1
InChIKey YGGMSJIFYVUNNU-BNNSEFEDSA-N
Mol Weight 518.62 g/mol
Molecular Formula C30H30O6S
Exact Mass 518.17631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YvBB15J6wy
Name 2H-Cyclopenta[b]furan-2-one, 5-(benzoyloxy)hexahydro-4-[3-hydroxy-4-phenoxy-2-(phenylthio)butyl]-, [3aR-[3a.alpha.,4.alpha.(2R*,3S*),5.b eta.,6a.alpha.]]-
CAS Registry Number 131543-66-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H30O6S
InChI InChI=1S/C30H30O6S/c31-25(19-34-21-12-6-2-7-13-21)28(37-22-14-8-3-9-15-22)16-23-24-17-29(32)35-26(24)18-27(23)36-30(33)20-10-4-1-5-11-20/h1-15,23-28,31H,16-19H2/t23-,24-,25+,26+,27-,28-/m1/s1
InChIKey YGGMSJIFYVUNNU-BNNSEFEDSA-N
Molecular Weight 518.624 g/mol
SMILES O[C@]([C@@](C[C@@]1([C@@]2([C@@](OC(=O)C2)(C[C@]1(OC(=O)c1ccccc1)[H])[H])[H])[H])(Sc1ccccc1)[H])(COc1ccccc1)[H]
SPLASH splash10-052r-0790100000-6bd3cb3818e7a3fb1a4a
Source of Spectrum J-56-1331-12
Synonyms (3aR,4R,5R,6aS)-4-[(2R,3S)-3-hydroxy-4-phenoxy-2-(phenylsulfanyl)butyl]-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate (3aR,4R,5R,6aS)-5-(benzoyloxy)hexahydro-4-((2R)-2-phenylthio-(3S)-3-hydroxy-4-phenoxybutyl)-2H-cyclopenta[b]furan-2-one
Wiley ID 1401714