Ceanothic acid
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Ceanothic acid
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CAS No:
21302-79-4
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Formula:
C30H46O5
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Chemical Name:
Ceanothic acid
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Synonyms:
3′H-Cyclopenta[3,4]-18-norandrost-3-ene-3′,13-dicarboxylic acid,tetrahydro-4′-hydroxy-4,5′,5′,9-tetramethyl-15-(1-methylethenyl)-,(3β,3′β,4α,4′α,5β,8α,9β,10α,13α,14β,15β)-;A(1)-Norlup-20(29)-en-28-oic acid,2α-carboxy-3β-hydroxy-;Ceanothic acid;Emmolic acid;A(1),28-Dinorlup-20(29)-ene-2,17-dicarboxylic acid,3-hydroxy-,(2α,3β)-;(3β,3′β,4α,4′α,5β,8α,9β,10α,13α,14β,15β)-Tetrahydro-4′-hydroxy-4,5′,5′,9-tetramethyl-15-(1-methylethenyl)-3′H-cyclopenta[3,4]-18-norandrost-3-ene-3′,13-dicarboxylic acid;2α-Carboxy-3β-hydroxy-A(1)-norlup-20(29)-en-28-oic acid
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CAS No:
Description
Ceanothic acid (Emmolic acid) is a ring-A homologue of betulinic acid. Ceanothic acid inhibits OVCAR-3, HeLa, and FS-5 cells with the cell survival of 68%, 65%, and 81%, respectively[1].
Characteristics
94.8
7.24
1.1±0.1 g/cm3
354 °C
609.0±55.0 °C at 760 mmHg
336.1±28.0 °C
1.549
2.25E-17mmHg at 25°C
D +38° (c = 1.20 in ethanol)
Computed Properties
Molecular Weight:486.7
XLogP3:7.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:486.33452456
Monoisotopic Mass:486.33452456
Topological Polar Surface Area:94.8
Heavy Atom Count:35
Complexity:970
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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