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(+/-)-6beta-Acetoxy-1alpha-methoxy-4-methoxycarbonyl-1,4aalpha,5,6,7,7aalpha-hexahydrocyclopenta[c]-pyran-7alpha-carboxylic acid
SpectraBase Compound ID 5oLIs9WdOvo
InChI InChI=1S/C14H18O8/c1-6(15)22-9-4-7-8(13(18)19-2)5-21-14(20-3)10(7)11(9)12(16)17/h5,7,9-11,14H,4H2,1-3H3,(H,16,17)/t7-,9-,10+,11+,14-/m1/s1
InChIKey BOVUPYFJRBQOJE-CBVXINNCSA-N
Mol Weight 314.29 g/mol
Molecular Formula C14H18O8
Exact Mass 314.100168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7qBl1qCqYdS
Name (+/-)-6beta-Acetoxy-1alpha-methoxy-4-methoxycarbonyl-1,4aalpha,5,6,7,7aalpha-hexahydrocyclopenta[c]-pyran-7alpha-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O8
InChI InChI=1S/C14H18O8/c1-6(15)22-9-4-7-8(13(18)19-2)5-21-14(20-3)10(7)11(9)12(16)17/h5,7,9-11,14H,4H2,1-3H3,(H,16,17)/t7-,9-,10+,11+,14-/m1/s1
InChIKey BOVUPYFJRBQOJE-CBVXINNCSA-N
Literature Reference DOI 10.1002/cber.19741070810
Molecular Weight 314.290 g/mol
SMILES OC([C@@]1([C@@]2([C@](C[C@]1(OC(C)=O)[H])(C(=CO[C@]2(OC)[H])C(OC)=O)[H])[H])[H])=O
SPLASH splash10-01b9-0692000000-b250641dba5eef79327c
Source of Spectrum K-107-2506-9b
Synonyms (1R,4aS,6R,7R,7aS)-6-acetoxy-1-methoxy-4-(methoxycarbonyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-carboxylic acid
Wiley ID 1793720