methyl rel-(2E,5xi,13xi,17xi,18xi)-2-[(2-methoxyphenyl)methylidene]-3-oxo-9xi-lup-20(29)-en-28-oate

Chemical Structure Depiction of
methyl rel-(2E,5xi,13xi,17xi,18xi)-2-[(2-methoxyphenyl)methylidene]-3-oxo-9xi-lup-20(29)-en-28-oate
Available: 37 mg
Amount:
mg
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Compound characteristics

Compound ID: N064-0049
Compound Name: methyl rel-(2E,5xi,13xi,17xi,18xi)-2-[(2-methoxyphenyl)methylidene]-3-oxo-9xi-lup-20(29)-en-28-oate
Molecular Weight: 586.86
Molecular Formula: C39 H54 O4
Smiles: CC(=C)[C@@H]1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)C/C(=C\c6ccccc6OC)C([C@](C)(C)C5CC[C@@]34C)=O)C12)C(=O)OC
Stereo: MIXTURE OF STEREOISOMERS
logP: 9.2154
logD: 9.2154
logSw: -6.0768
Hydrogen bond acceptors count: 6
Polar surface area: 42.158
InChI Key: CDQMFMRWVGTBOW-RYQZVKBNSA-N
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