Chemical Properties of Homobaldrinal (CAS 67910-07-0)

Homobaldrinal

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InChI
InChI=1S/C15H16O4/c1-10(2)5-15(17)19-8-12-7-18-9-14-11(6-16)3-4-13(12)14/h3-4,6-7,9-10H,5,8H2,1-2H3
InChI Key
LTVSLKWNAZKBEX-UHFFFAOYSA-N
Formula
C15H16O4
SMILES
CC(C)CC(=O)OCc1cocc2c(C=O)ccc1-2
Molecular Weight1
260.29
CAS
67910-07-0
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Physical Properties

Property Value Unit Source
log10WS -9.06 Crippen Calculated Property
logPoct/wat 3.286 Crippen Calculated Property
McVol 198.170 ml/mol McGowan Calculated Property
Inp 2154.40 NIST

Similar Compounds

(7-Methylcyclopenta[c]pyran-4-yl)methyl 3-methylbutanoate. Cyclopenta[c]pyran-7-carboxaldehyde, 4-[(acetyloxy)methyl]-. Cyclopenta[c]pyran-4-ylmethyl 3-methylbutanoate. Poligodial + o-Tyr (ethyl ester) adduct (R,S). Poligodial + p-Tyr (ethyl ester) adduct (S). Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 2. Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 1. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Glyceollin V, TMS. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. Hydroxy-N-methylcytisine. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Glyceollin III, TMS. Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Poligodial + m-Tyr (ethyl ester) adduct (R,S), acetylated, # 2.

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