ECHINULIN
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ECHINULIN
structure -
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CAS No:
1859-87-6
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Formula:
C29H39N3O2
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Chemical Name:
ECHINULIN
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Synonyms:
ECHINULIN;echinuline;(3S,6S)-3-[[2-(1,1-Dimethyl-2-propenyl)-5,7-bis(3-methyl-2-butenyl)-1H-indol-3-yl]methyl]-6-methyl-2,5-piperazinedione;2-(1,1-Dimethyl-2-propenyl)-5,7-diisopentenylcyclo(L-Trp-L-Ala-);(3S,6S)-3-[[2-(1,1-dimethylallyl)-5,7-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-6-methyl-piperazine-2,5-quinone;(3S,6S)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-5,7-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]piperazine-2,5-dione
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CAS No:
Characteristics
74
5.94
1.1±0.1 g/cm3
242-243°
695.3±55.0 °C at 760 mmHg
374.3±31.5 °C
1.566
D20 -26.0° (chloroform)
Computed Properties
Molecular Weight:461.6
XLogP3:7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:461.30422750
Monoisotopic Mass:461.30422750
Topological Polar Surface Area:74
Heavy Atom Count:34
Complexity:834
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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