DaMMarenediol II 3-O-caffeate
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DaMMarenediol II 3-O-caffeate
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CAS No:
171438-55-4
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Formula:
C38H56O5
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Chemical Name:
DaMMarenediol II 3-O-caffeate
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Synonyms:
DaMMarenediol II 3-O-caffeate;(3beta)-Dammar-24-ene-3,20-diol 3-[3-(3,4-dihydroxyphenyl)-2-propenoate]
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CAS No:
Characteristics
86.99000
11.26
1.13±0.1 g/cm3(Predicted)
691.4±50.0 °C(Predicted)
204.0±23.6 °C
1.576
Computed Properties
Molecular Weight:606.9
XLogP3:10.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:606.42842495
Monoisotopic Mass:606.42842495
Topological Polar Surface Area:87
Heavy Atom Count:44
Complexity:1120
Defined Atom Stereocenter Count:9
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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