[19,21-diacetyloxy-6-(furan-3-yl)-4,12,20-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylbutanoate
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![[19,21-diacetyloxy-6-(furan-3-yl)-4,12,20-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylbutanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1456c322ef084d56a759a9b036e9fc87.png "[19,21-diacetyloxy-6-(furan-3-yl)-4,12,20-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylbutanoate")
[19,21-diacetyloxy-6-(furan-3-yl)-4,12,20-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylbutanoate
structure -
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CAS No:
66700-76-3
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Formula:
C35H46O13
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Chemical Name:
[19,21-diacetyloxy-6-(furan-3-yl)-4,12,20-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylbutanoate
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Synonyms:
APHANASTATIN;66700-76-3;NSC 298100;DTXSID30985270;NSC-298100;1,3-Bis(acetyloxy)-9-(furan-3-yl)-2,6,10-trihydroxy-4,6a,9a-trimethyl-11-oxotetradecahydro-1H-4,11b-(methanooxymethano)naphtho[1',2':6,7]indeno[1,7a-b]oxiren-14-yl 2-methylbutanoate
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CAS No:
[19,21-diacetyloxy-6-(furan-3-yl)-4,12,20-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylbutanoate Basic Attributes
674.7 g/mol
674.29384152 g/mol
298100
Computed Properties
Molecular Weight:674.7
XLogP3:1.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:9
Exact Mass:674.29384152
Monoisotopic Mass:674.29384152
Topological Polar Surface Area:192
Heavy Atom Count:48
Complexity:1400
Undefined Atom Stereocenter Count:16
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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