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Home > Encyclopedia > [(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

[(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

[(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 structure

[(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 

structure
  • CAS No:

    77732-98-0

  • Formula:

    C23H26O3

  • 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

  • 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

[(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

Characteristics

46.5 Ų

Drug Information

benzo(d,e)estra-1,3,5(10)-triene-3,17 beta-diol 17-acetate

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

Guide of [(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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