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(6aR)-5,6a-Dihydroxy-1,1-dimethyl-5-(1-oxopropyl)-5H-cyclopropa[3,4]cyclohexa[1,2-a]cyclohepane-6-carbaldehyde
SpectraBase Compound ID 6OqosPxQnL7
InChI InChI=1S/C18H28O4/c1-4-14(20)18(22)8-5-6-12-15-11(16(15,2)3)7-9-17(12,21)13(18)10-19/h10-13,15,21-22H,4-9H2,1-3H3/t11-,12-,13-,15+,17+,18+/m0/s1
InChIKey AZBNLEGYTRXRQC-POVZDWJASA-N
Mol Weight 308.42 g/mol
Molecular Formula C18H28O4
Exact Mass 308.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23EdVDqqgwX
Name (6aR)-5,6a-Dihydroxy-1,1-dimethyl-5-(1-oxopropyl)-5H-cyclopropa[3,4]cyclohexa[1,2-a]cyclohepane-6-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O4
InChI InChI=1S/C18H28O4/c1-4-14(20)18(22)8-5-6-12-15-11(16(15,2)3)7-9-17(12,21)13(18)10-19/h10-13,15,21-22H,4-9H2,1-3H3/t11-,12-,13-,15+,17+,18+/m0/s1
InChIKey AZBNLEGYTRXRQC-POVZDWJASA-N
Molecular Weight 308.418 g/mol
SMILES O[C@@]1(CCC[C@@]2([C@](CC[C@@]3(C([C@@]23[H])(C)C)[H])([C@@]1(C=O)[H])O)[H])C(=O)CC
SPLASH splash10-0a4l-9450000000-0df91642d4005bd80565
Source of Spectrum AT-33-4940-14
Synonyms (1aR,1bS,5R,6S,6aR,8aS)-5,6a-Dihydroxy-1,1-dimethyl-5-(1-oxopropyl)-5H-cyclopropa[3,4]cyclohexa[1,2-a]cyclohepane-6-carbaldehyde (1aS,3aR,4S,5R,8aS,8bR)-3a,5-dihydroxy-1,1-dimethyl-5-propionyldodecahydrocyclopropa[3,4]benzo[1,2-a]cycloheptene-4-carbaldehyde 5,6a-Dihydroxy-1,1-dimethyl-5-(1-oxopropyl)-5H-cyclopropa[3,4]cyclohexa[1,2-a]cyclohepane-6-carbaldehyde
Wiley ID 836304