[6-(4-acetamido-3-methylbutyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-16-yl] acetate
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[6-(4-acetamido-3-methylbutyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-16-yl] acetate
structure -
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CAS No:
5672-30-0
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Formula:
C31H47NO4
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Chemical Name:
[6-(4-acetamido-3-methylbutyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-16-yl] acetate
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Synonyms:
5672-30-0;NSC231315;DTXSID10972168;Pseduotomatidin-5,20-dien diacetate;MCULE-8172241368;NSC-231315;N-[3-(Acetyloxy)furosta-5,20(22)-dien-27-yl]ethanimidic acid;[6-(4-Acetamido-3-methylbutyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-16-yl] acetate
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CAS No:
[6-(4-acetamido-3-methylbutyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-16-yl] acetate Basic Attributes
497.7 g/mol
497.35050898 g/mol
231315
Computed Properties
Molecular Weight:497.7
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:497.35050898
Monoisotopic Mass:497.35050898
Topological Polar Surface Area:64.6
Heavy Atom Count:36
Complexity:968
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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