TUMULOSICACID
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TUMULOSICACID
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CAS No:
508-24-7
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Formula:
C31H50O4
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Chemical Name:
TUMULOSICACID
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Synonyms:
Tumulosic acid;CHEMBL461484;SCHEMBL12952336;(2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
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CAS No:
Computed Properties
Molecular Weight:486.7
XLogP3:6.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:486.37091007
Monoisotopic Mass:486.37091007
Topological Polar Surface Area:77.8
Heavy Atom Count:35
Complexity:915
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes