[(2S,5S,6S,9S,10R)-17-hydroxy-5-methyl-6-pentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(19),12(20),13,15,17-pentaenyl] acetate
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[(2S,5S,6S,9S,10R)-17-hydroxy-5-methyl-6-pentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(19),12(20),13,15,17-pentaenyl] acetate
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CAS No:
77732-98-0
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Formula:
C23H26O3
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Chemical Name:
[(2S,5S,6S,9S,10R)-17-hydroxy-5-methyl-6-pentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(19),12(20),13,15,17-pentaenyl] acetate
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Synonyms:
benzo(d,e)estra-1,3,5(10)-triene-3,17 beta-diol 17-acetate;BETDA;77732-98-0;BETDA;DTXSID20998935;Benzo(d,e)estra-1,3,5(10)-triene-3,17beta-diol 17-acetate;Benz(4,5,6)estra-1(10),2,4-triene-3,17-diol, 17-acetate, (17beta)-;8-Hydroxy-3a-methyl-1,2,3,3a,4,5,5a,12,12a,12b-decahydrobenzo[fg]cyclopenta[a]anthracen-3-yl acetate
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CAS No:
[(2S,5S,6S,9S,10R)-17-hydroxy-5-methyl-6-pentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(19),12(20),13,15,17-pentaenyl] acetate Basic Attributes
350.4 g/mol
350.18819469 g/mol
Computed Properties
Molecular Weight:350.4
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:350.18819469
Monoisotopic Mass:350.18819469
Topological Polar Surface Area:46.5
Heavy Atom Count:26
Complexity:574
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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