26-DEOXYCIMICIFUGOSIDE
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26-DEOXYCIMICIFUGOSIDE
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CAS No:
214146-75-5
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Formula:
C37H54O10
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Chemical Name:
26-DEOXYCIMICIFUGOSIDE
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Synonyms:
26-DEOXYCIMICIFUGOSIDE;7,8-Didehydro-27-deoxyactein;(3beta,12beta,16beta,23S,24R,25R)-12-(Acetyloxy)-16,23:23,26:24,25-triepoxy-9,19-cyclolanost-7-en-3-yl beta-D-xylopyranoside;Deoxycimicifugoside,26-
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CAS No:
Characteristics
136
3.1
1.34±0.1 g/cm3(Predicted)
260-262 °C(Solv: acetonitrile (75-05-8); water (7732-18-5))
Computed Properties
Molecular Weight:658.8
XLogP3:3.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:658.37169792
Monoisotopic Mass:658.37169792
Topological Polar Surface Area:136
Heavy Atom Count:47
Complexity:1410
Defined Atom Stereocenter Count:14
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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