[(1S,3S,4R,8S,9R,11S,12S)-6,6,9-trimethyl-2,13-dioxapentacyclo[9.3.0.01,3.04,8.09,11]tetradecan-12-yl] octadecanoate
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![[(1S,3S,4R,8S,9R,11S,12S)-6,6,9-trimethyl-2,13-dioxapentacyclo[9.3.0.01,3.04,8.09,11]tetradecan-12-yl] octadecanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/613b5068451c406b9289d2f61500d9c1.png "[(1S,3S,4R,8S,9R,11S,12S)-6,6,9-trimethyl-2,13-dioxapentacyclo[9.3.0.01,3.04,8.09,11]tetradecan-12-yl] octadecanoate")
[(1S,3S,4R,8S,9R,11S,12S)-6,6,9-trimethyl-2,13-dioxapentacyclo[9.3.0.01,3.04,8.09,11]tetradecan-12-yl] octadecanoate
structure -
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CAS No:
86562-14-3
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Formula:
C33H56O4
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Chemical Name:
[(1S,3S,4R,8S,9R,11S,12S)-6,6,9-trimethyl-2,13-dioxapentacyclo[9.3.0.01,3.04,8.09,11]tetradecan-12-yl] octadecanoate
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Synonyms:
stearoylvelutinal;Stearoylvelutinal;86562-14-3;DTXSID801006928;5a,7,7-Trimethyloctahydro-2H,4H-cyclopropa[4,5]oxireno[6,7]indeno[5,6-c]furan-4-yl octadecanoate;Octadecanoic acid, octahydro-5a,7,7-trimethyl-2H,4H-cycloprop(4,5)oxireno(6,7)indeno(5,6-c)furan-4-yl ester, (4S-(1aR*,4alpha,4aR*,5abeta,5balpha,8aalpha,8bbeta))-
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CAS No:
[(1S,3S,4R,8S,9R,11S,12S)-6,6,9-trimethyl-2,13-dioxapentacyclo[9.3.0.01,3.04,8.09,11]tetradecan-12-yl] octadecanoate Basic Attributes
516.8 g/mol
516.41786026 g/mol
Computed Properties
Molecular Weight:516.8
XLogP3:10.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:18
Exact Mass:516.41786026
Monoisotopic Mass:516.41786026
Topological Polar Surface Area:48.1
Heavy Atom Count:37
Complexity:793
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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