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2-(3-carboxyphenyl)-6,9a-dimethyl-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid

Chemical Structure Depiction of
2-(3-carboxyphenyl)-6,9a-dimethyl-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid
Available: 27 mg
Amount:
mg
Format:
$83.09
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Compound characteristics

Compound ID: 2995-2035
Compound Name: 2-(3-carboxyphenyl)-6,9a-dimethyl-1,3-dioxo-12-(propan-2-yl)hexadecahydro-3b,11-ethenonaphtho[2,1-e]isoindole-6-carboxylic acid
Molecular Weight: 519.64
Molecular Formula: C31 H37 N O6
Smiles: CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(O)=O)C3CC1C1C2C(N(C1=O)c1cccc(c1)C(O)=O)=O
Stereo: MIXTURE OF STEREOISOMERS
logP: 4.2053
logD: 1.5157
logSw: -4.5948
Hydrogen bond acceptors count: 10
Hydrogen bond donors count: 2
Polar surface area: 85.65
InChI Key: HBJMDWSNDUDODD-UHFFFAOYSA-N
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