Chemical Properties of 3'-acetylsupinine

3'-acetylsupinine

InChI
InChI=1S/C17H27NO6/c1-10(2)17(22,11(3)24-12(4)19)16(21)23-9-13-5-7-18-8-6-14(20)15(13)18/h5,10-11,14-15,20,22H,6-9H2,1-4H3/t11-,14-,15-,17?/m0/s1
InChI Key
YFQPDKABPCMKCA-PEQUQEEVSA-N
Formula
C17H27NO6
SMILES
CC(=O)OC(C)C(O)(C(=O)OCC1=CCN2CCC(O)C12)C(C)C
Molecular Weight1
341.40
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Physical Properties

Property Value Unit Source
ω 0.8812 Relay (1.0) Calculated Property
Δf -526.11 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas -1032.97 kJ/mol Relay (1.0) Calculated Property
Δvap 119.68 kJ/mol Relay (1.0) Calculated Property
IE 8.13 eV Relay (1.0) Calculated Property
log10WS -0.93 Relay (1.0) Calculated Property
logPoct/wat 0.244 Crippen Calculated Property
McVol 260.970 ml/mol McGowan Calculated Property
Pc 1346.49 kPa Relay (1.0-beta) Calculated Property
Inp [2080.00; 2080.00]   Show Hide
Inp 2080.00 NIST
Inp 2080.00 NIST
Tboil 615.08 K Relay (1.0) Calculated Property
Tc 871.22 K Relay (1.0) Calculated Property
Tfus 412.07 K Relay (1.0) Calculated Property
Vc 0.942 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

3'-acetylindicine. 7-senecioyllycopsamine. Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1«alpha»,7(2R*,3S*),7a«alpha»]]-. Heliotrine (7S). 3'-dihydrocinnamoylindicine. 3'-benzoylindicine. 3'-trans-cinnamoylindicine. 3'-cis-cinnamoylindicine. Acetyldihydrocodeine. Retroisosenine. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. Hydrocodone. Dihydromorphinone acetate. Benazepril Me. Hydromorphone.

Find more compounds similar to 3'-acetylsupinine.

Sources

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