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Cyclopenta[c]pyran-4-carboxylic acid, 1,1'-oxybis[1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-, dimethyl ester, [1S-[1.alpha.(1'R*,4'aR*,6'R*,7'S*,7'aS*),4a.alpha.,6.alpha.,7.alpha. ,7a.alpha.]]-
SpectraBase Compound ID HqA8yMGLHNH
InChI InChI=1S/C22H30O9/c1-9-15(23)5-11-13(19(25)27-3)7-29-21(17(9)11)31-22-18-10(2)16(24)6-12(18)14(8-30-22)20(26)28-4/h7-12,15-18,21-24H,5-6H2,1-4H3/t9-,10-,11+,12+,15-,16-,17-,18-,21-,22-/m0/s1
InChIKey HVWNCZNFLAICTH-IKTSGQJLSA-N
Mol Weight 438.47 g/mol
Molecular Formula C22H30O9
Exact Mass 438.188983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8DcY07mieVI
Name Cyclopenta[c]pyran-4-carboxylic acid, 1,1'-oxybis[1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-, dimethyl ester, [1S-[1.alpha.(1'R*,4'aR*,6'R*,7'S*,7'aS*),4a.alpha.,6.alpha.,7.alpha. ,7a.alpha.]]-
CAS Registry Number 66194-82-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O9
InChI InChI=1S/C22H30O9/c1-9-15(23)5-11-13(19(25)27-3)7-29-21(17(9)11)31-22-18-10(2)16(24)6-12(18)14(8-30-22)20(26)28-4/h7-12,15-18,21-24H,5-6H2,1-4H3/t9-,10-,11+,12+,15-,16-,17-,18-,21-,22-/m0/s1
InChIKey HVWNCZNFLAICTH-IKTSGQJLSA-N
Molecular Weight 438.473 g/mol
SMILES O[C@@]1([C@@]([C@]2([C@@](C(=CO[C@]2(O[C@@]2(OC=C([C@@]3([C@@]2([C@]([C@](C3)(O)[H])(C)[H])[H])[H])C(=O)OC)[H])[H])C(=O)OC)(C1)[H])[H])(C)[H])[H]
SPLASH splash10-004i-0960000000-af373801880f077034f1
Source of Spectrum K-111-2439-0
Synonyms (-)-Bis((1S,4aS,6S,7R,7aR)-6-hydroxy-4-methoxycarbonyl-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta(c)pyran-1-yl)ether Methyl (1S,4aS,6S,7R,7aR)-1-{[(1S,4aS,6S,7R,7aR)-6-hydroxy-4-(methoxycarbonyl)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy}-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Wiley ID 1384081