Neriifolin
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Neriifolin
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CAS No:
466-07-9
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Formula:
C30H46O8
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Chemical Name:
Neriifolin
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Synonyms:
Card-20(22)-enolide,3-[(6-deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxy-,(3β,5β)-;Neriifolin;(3β,5β)-3-[(6-Deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide;NSC 123976;17β-Neriifolin;47795-81-3;52443-19-3;73068-93-6;319449-22-4
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CAS No:
Description
ChEBI: A cardenolide glycoside that is digitoxigenin in which the hydroxy goup at position 3 has been converted to its (6-deoxy-3-O-methyl-alpha-L-glucopyranoside derivative. Found in the seeds of Cerbera odollamand in Thevetia ahouia and Thevitia neriifolia.
Characteristics
115
3.11020
1.274g/cm3
221 °C
700.079ºC at 760 mmHg
224.862ºC
1.581
2-8°C
0mmHg at 25°C
D23 -50.2° (CH3OH)
Safety Information
UN 2811 6.1/PG 1
3
26/27/28
22-36/37/39-45
FH4906100
T+
P260, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P304+P340, P310, P320, P321, P322, P330, P361, P363, P403+P233, P405, P501
H300
Computed Properties
Molecular Weight:534.7
XLogP3:2.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:534.31926842
Monoisotopic Mass:534.31926842
Topological Polar Surface Area:115
Heavy Atom Count:38
Complexity:968
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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CAFFEIC ACID, 3-METHYL PHENETHYL ESTER
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(-)-Loganin Structure
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Bilobalide Structure
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