Cytochalasin J
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Cytochalasin J
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CAS No:
53760-20-6
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Formula:
C28H37NO4
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Chemical Name:
Cytochalasin J
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Synonyms:
1H-Cycloundec[d]isoindol-1-one,2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylene-3-(phenylmethyl)-,(3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-;[11]Cytochalasa-6(12),13,19-trien-1-one,7,18,21-trihydroxy-16,18-dimethyl-10-phenyl-,(7S,13E,16S,18R,19E,21R)-;(3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-2,3,3a,4,5,6,6a,9,10,11,12,15-Dodecahydro-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylene-3-(phenylmethyl)-1H-cycloundec[d]isoindol-1-one;Kodocytochalasin 2;Deacetylcytochalasin H;Cytochalasin J;Paspalin P II;1H-Cycloundec[d]isoindol-1-one,2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylene-3-(phenylmethyl)-,[3S-(3R*,3aS*,4R*,6R*,6aS*,7E,10R*,12S*,13E,15S*,15aS*)]-;56144-22-0
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CAS No:
Characteristics
89.79000
3.49610
1.2g/cm3
158-160 °C @ Solvent: Chloroform
679.5ºC at 760mmHg
364.8ºC
1.609
2-8°C
Safety Information
UN 3462 6.1/PG 2
3
26/27/28-63-40
28-36/37-45-36/37/39-22
HA5306500
T+
|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P201, P202, P260, P262, P264, P270, P271, P280, P281, P284, P301+P310, P302+P350, P304+P340, P308+P313, P310, P320, 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:451.6
XLogP3:2.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:451.27225866
Monoisotopic Mass:451.27225866
Topological Polar Surface Area:89.8
Heavy Atom Count:33
Complexity:815
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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