(2R,4S,5R,7R,8S,9R,13R,14S,15R,16S,18S,19R,20R)-5,14,15,16,19,20-hexahydroxy-7,9,13-trimethyl-5-(2-methylpropyl)pentacyclo[10.8.0.02,9.04,8.013,18]icosan-3-one
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![(2R,4S,5R,7R,8S,9R,13R,14S,15R,16S,18S,19R,20R)-5,14,15,16,19,20-hexahydroxy-7,9,13-trimethyl-5-(2-methylpropyl)pentacyclo[10.8.0.02,9.04,8.013,18]icosan-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a6eea55f3eb346758daef48d2ea8833a.png "(2R,4S,5R,7R,8S,9R,13R,14S,15R,16S,18S,19R,20R)-5,14,15,16,19,20-hexahydroxy-7,9,13-trimethyl-5-(2-methylpropyl)pentacyclo[10.8.0.02,9.04,8.013,18]icosan-3-one")
(2R,4S,5R,7R,8S,9R,13R,14S,15R,16S,18S,19R,20R)-5,14,15,16,19,20-hexahydroxy-7,9,13-trimethyl-5-(2-methylpropyl)pentacyclo[10.8.0.02,9.04,8.013,18]icosan-3-one
structure -
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CAS No:
141272-44-8
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Formula:
C27H44O7
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Chemical Name:
(2R,4S,5R,7R,8S,9R,13R,14S,15R,16S,18S,19R,20R)-5,14,15,16,19,20-hexahydroxy-7,9,13-trimethyl-5-(2-methylpropyl)pentacyclo[10.8.0.02,9.04,8.013,18]icosan-3-one
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Synonyms:
xestobergsterol B;Xestobergsterol B;Xeatobergsterol B;141272-44-8;hexahydroxy-isobutyl-trimethyl-[?]one;16,23-Cyclocholestan-15-one, 1,2,3,6,7,23-hexahydroxy-,(1.beta.,2.beta.,3.alpha.,5.alpha.,6.alpha.,7.beta.,14.beta.,16.alpha.,23.beta.)-
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CAS No:
(2R,4S,5R,7R,8S,9R,13R,14S,15R,16S,18S,19R,20R)-5,14,15,16,19,20-hexahydroxy-7,9,13-trimethyl-5-(2-methylpropyl)pentacyclo[10.8.0.02,9.04,8.013,18]icosan-3-one Basic Attributes
480.6 g/mol
480.30870374 g/mol
Computed Properties
Molecular Weight:480.6
XLogP3:1.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:480.30870374
Monoisotopic Mass:480.30870374
Topological Polar Surface Area:138
Heavy Atom Count:34
Complexity:847
Defined Atom Stereocenter Count:13
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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