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Cyclonona[c]pyran-11-carboxaldehyde, 1,3,4,4a,5,6,9,11a-octahydro-5-hydroxy-7-methyl-4-(4-methyl-3-pentenyl)-1-oxo-, [4S-(4R*,4aS*,5R*,7E,10E,11aS*)]-
SpectraBase Compound ID GRrVeFJGHlB
InChI InChI=1S/C20H28O4/c1-13(2)6-4-9-16-12-24-20(23)19-15(11-21)8-5-7-14(3)10-17(22)18(16)19/h6-8,11,16-19,22H,4-5,9-10,12H2,1-3H3/b14-7-,15-8-/t16-,17+,18+,19+/m1/s1
InChIKey NLUMRGVTMXPWAA-FEIWVAJZSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWNsr2NQPRj
Name Cyclonona[c]pyran-11-carboxaldehyde, 1,3,4,4a,5,6,9,11a-octahydro-5-hydroxy-7-methyl-4-(4-methyl-3-pentenyl)-1-oxo-, [4S-(4R*,4aS*,5R*,7E,10E,11aS*)]-
CAS Registry Number 133585-89-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-13(2)6-4-9-16-12-24-20(23)19-15(11-21)8-5-7-14(3)10-17(22)18(16)19/h6-8,11,16-19,22H,4-5,9-10,12H2,1-3H3/b14-7-,15-8-/t16-,17+,18+,19+/m1/s1
InChIKey NLUMRGVTMXPWAA-FEIWVAJZSA-N
Molecular Weight 332.440 g/mol
SMILES O[C@@]1([C@]2([C@@](C(OC[C@]2(CCC=C(C)C)[H])=O)(\C(=C/C\C=C/(C1)C)C=O)[H])[H])[H]
SPLASH splash10-00kf-9100000000-7fcfcb4bae6e645f0ca9
Source of Spectrum F-47-1408-1
Synonyms (2R,3R,4S,6E,9E,10R)-17,4-hydroxyxenic-6,9,13-trien-1-al-18-oic acid lactone (4S,4aR,5S,11aR)-5-hydroxy-7-methyl-4-(4-methyl-3-pentenyl)-1-oxo-1,3,4,4a,5,6,9,11a-octahydrocyclonona[c]pyran-11-carbaldehyde
Wiley ID 1329618