(3β,5β,16β)-3,16-Bis(acetyloxy)-14-hydroxycard-20(22)-enolide
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(3β,5β,16β)-3,16-Bis(acetyloxy)-14-hydroxycard-20(22)-enolide
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CAS No:
5996-03-2
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Formula:
C27H38O7
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Chemical Name:
(3β,5β,16β)-3,16-Bis(acetyloxy)-14-hydroxycard-20(22)-enolide
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Synonyms:
Card-20(22)-enolide,3,16-bis(acetyloxy)-14-hydroxy-,(3β,5β,16β)-;5β-Card-20(22)-enolide,3β,14,16β-trihydroxy-,3,16-diacetate;Gitoxigenin,3,16-diacetate;(3β,5β,16β)-3,16-Bis(acetyloxy)-14-hydroxycard-20(22)-enolide;3,16-Di-O-acetylgitoxigenin;3,16-Diacetylgitoxigenin;94725-27-6;122174-92-9
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CAS No:
Safety Information
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:474.6
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:474.26175355
Monoisotopic Mass:474.26175355
Topological Polar Surface Area:99.1
Heavy Atom Count:34
Complexity:926
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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