Chemical Properties of Isocreatonotine

Isocreatonotine

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InChI
InChI=1S/C13H21NO4/c1-8(2)12(16)13(17)18-10-4-6-14-5-3-9(7-15)11(10)14/h3,8,10-12,15-16H,4-7H2,1-2H3/t10-,11?,12-/m0/s1
InChI Key
YVFZQQHFBKSOTJ-PRWSFJOGSA-N
Formula
C13H21NO4
SMILES
CC(C)C(O)C(=O)OC1CCN2CC=C(CO)C12
Molecular Weight1
255.31
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Physical Properties

Property Value Unit Source
log10WS -0.96 Crippen Calculated Property
logPoct/wat -0.078 Crippen Calculated Property
McVol 197.170 ml/mol McGowan Calculated Property
Inp 1960.00 NIST

Similar Compounds

2-Butenoic acid, 2-methyl-, 2,3,5,7a-tetrahydro-7-(hydroxymethyl)-1H-pyrrolizin-1-yl ester, [1S-[1«alpha»(Z),7a«alpha»]]-. 7-tigloylheliotridine. 7-tigloylretronecine. 7-(2-Methylbutyryl)-retronecine. 7-Seneciolylretronecine. 7-Senecioylheliotridine. 7-Senecioylretronecine. 7-acetylretronecine. Spartioidine. Seneciphylline. 7-Angeloyl-9-(2-methylbutyryl)heliotridine. Spartioidine, 12-acetyl. Acetylseneciphylline. Seneciphylline, 12-acetyl. 7-acetyl-9-(2-methylbutyryl) retronecine.

Find more compounds similar to Isocreatonotine.

Sources

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