Chemical Properties of 13-Benzoyloxylupanine

13-Benzoyloxylupanine

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InChI
InChI=1S/C22H28N2O3/c25-20-11-6-10-19-17-13-16(14-24(19)20)18-9-4-5-12-23(18)21(17)27-22(26)15-7-2-1-3-8-15/h1-3,7-8,16-19,21H,4-6,9-14H2/t16?,17?,18-,19+,21?/m1/s1
InChI Key
ITLXMVBYRSJRFZ-FAFJLIIVSA-N
Formula
C22H28N2O3
SMILES
O=C(OC1C2CC(CN3C(=O)CCCC23)C2CCCCN21)c1ccccc1
Molecular Weight1
368.47
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Physical Properties

Property Value Unit Source
log10WS -4.42 Crippen Calculated Property
logPoct/wat 3.055 Crippen Calculated Property
McVol 282.610 ml/mol McGowan Calculated Property
Inp [3090.00; 3105.00]   Show Hide
Inp 3105.00 NIST
Inp 3090.00 NIST
Inp 3090.00 NIST
Inp 3090.00 NIST

Similar Compounds

Benazepril Me. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. Butanoic acid, 2-(1-methylethyl)-2,3-bis[(trimethylsilyl)oxy]-, [2,3,5,7a-tetrahydro-1-[(trimethylsilyl)oxy]-1H-pyrrolizin-7-yl]methy l ester, [1R-[1«alpha»,7(2R*,3S*),7a«beta»]]-. Supinine, diTMS. (1R,9S)-1-Acetoxy-N-acetyl-1,9-dihydro-anhydronornarceine. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Ergotamine. Ergocristine. Codeine-propionyl.

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Sources

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