(23R,24S)-23,24-Dihydroxy-25-methoxy-5α-tirucall-7-en-3-one
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(23R,24S)-23,24-Dihydroxy-25-methoxy-5α-tirucall-7-en-3-one
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CAS No:
115334-04-8
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Formula:
C31H52O4
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Chemical Name:
(23R,24S)-23,24-Dihydroxy-25-methoxy-5α-tirucall-7-en-3-one
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Synonyms:
(23R,24S)-23,24-Dihydroxy-25-methoxy-5α-tirucall-7-en-3-one;Phellochin
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CAS No:
Characteristics
66.76000
6.83
1.07±0.1 g/cm3(Predicted)
173-175 °C
589.2±50.0 °C(Predicted)
180.1±23.6 °C
1.534
Computed Properties
Molecular Weight:488.7
XLogP3:6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:488.38656014
Monoisotopic Mass:488.38656014
Topological Polar Surface Area:66.8
Heavy Atom Count:35
Complexity:873
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(23R,24S)-23,24-Dihydroxy-25-methoxy-5α-tirucall-7-en-3-one
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