Hellebrin
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Hellebrin
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CAS No:
13289-18-4
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Formula:
C36H52O15
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Chemical Name:
Hellebrin
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Synonyms:
Bufa-20,22-dienolide,3-[(6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxo-,(3β,5β)-;Hellebrin;(3β,5β)-3-[(6-Deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide;Corelborin;Corelborin π;Korelborin;Korelborin P;NSC 93134;12626-45-8;28518-57-2
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CAS No:
Characteristics
246.04000
1.1881 (rough estimate)
283.5 °C
635.25°C (rough estimate)
288.1ºC
1.5940 (estimate)
MLD in guinea pigs: 0.85 mMole/kg, Klup, Arch. Exp. Pathol. Pharmakol. 252, 314 (1966)
D20 -23.4° (50% methanol)
Safety Information
|Danger|H300+H310+H330 (100%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P260, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P304+P340, 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:724.8
XLogP3:-1.7
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:7
Exact Mass:724.33062095
Monoisotopic Mass:724.33062095
Topological Polar Surface Area:242
Heavy Atom Count:51
Complexity:1410
Undefined Atom Stereocenter Count:18
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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