Allobetulin
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Allobetulin
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CAS No:
1617-72-7
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Formula:
C30H50O2
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Chemical Name:
Allobetulin
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Synonyms:
Oleanan-3-ol,19,28-epoxy-,(3β,18α,19β)-;18α-Oleanan-3β-ol,19β,28-epoxy-;Allobetulinol;2H-1,4a-(Epoxymethano)picene,oleanan-3-ol deriv.;(3β,18α,19β)-19,28-Epoxyoleanan-3-ol;Allobetulin;NSC 50902;(+)-Allobetulin;19β,28-Epoxy-18α-olean-3β-ol;20697-41-0;1239919-24-4
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CAS No:
Description
ChEBI: A triterpenoid that is (18alpha)-19,28-epoxyoleanane substituted by a hydroxy group at position 3.
Characteristics
29.5
7.23760
1.06±0.1 g/cm3(Predicted)
260-261 °C @ Solvent: Ethanol
513.7±23.0 °C(Predicted)
203.5ºC
1.547
0mmHg at 25°C
Computed Properties
Molecular Weight:442.7
XLogP3:8.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:442.381080833
Monoisotopic Mass:442.381080833
Topological Polar Surface Area:29.5
Heavy Atom Count:32
Complexity:801
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes