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3-Oxacarbacyclin

View entire compound with spectra: 1 MS (GC)

3-Oxacarbacyclin
SpectraBase Compound ID HHg1pSP9M2e
InChI InChI=1S/C20H32O5/c1-2-3-4-5-16(21)6-7-17-18-11-14(8-9-25-13-20(23)24)10-15(18)12-19(17)22/h6-8,15-19,21-22H,2-5,9-13H2,1H3,(H,23,24)/b7-6+,14-8+/t15-,16-,17?,18-,19+/m0/s1
InChIKey IYWVTGKCZASDGL-MSOSLOGYSA-N
Mol Weight 352.5 g/mol
Molecular Formula C20H32O5
Exact Mass 352.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qttyfQc3kz
Name 3-Oxacarbacyclin
Alternate Name(s) {[(2E)-2-((3aS,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydroxy-1-octenyl]hexahydro-2(1H)-pentalenylidene)ethyl]oxy}acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O5
InChI InChI=1S/C20H32O5/c1-2-3-4-5-16(21)6-7-17-18-11-14(8-9-25-13-20(23)24)10-15(18)12-19(17)22/h6-8,15-19,21-22H,2-5,9-13H2,1H3,(H,23,24)/b7-6+,14-8+/t15-,16-,17?,18-,19+/m0/s1
InChIKey IYWVTGKCZASDGL-MSOSLOGYSA-N
Molecular Weight 352.471 g/mol
SMILES O[C@](\C=C\C1[C@@](C[C@]2([C@@]1(C\C(=C\COCC(=O)O)C2)[H])[H])(O)[H])(CCCCC)[H]
SPLASH splash10-066u-0910000000-4bb60f89fb08d434cd18
Source of Spectrum U1-1998-823-4
Wiley ID 751245