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Home > Encyclopedia > [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate

[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate

[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate structure

[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate 

structure
  • CAS No:

    90509-06-1

  • Formula:

    C28H42O4

  • Chemical Name:

    [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate

  • Synonyms:

    90509-06-1;DTXSID60920351;ZINC31502319;3-hydroxy-6-methyl-20-oxopregna-4,6-dien-17-yl hexanoate;Pregna-4,6-dien-20-one, 3-hydroxy-6-methyl-17-((1-oxohexyl)oxy)-, (3beta)-

[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate Basic Attributes

442.6 g/mol

442.30830982 g/mol

Characteristics

63.6 Ų

Computed Properties

Molecular Weight:442.6
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:442.30830982
Monoisotopic Mass:442.30830982
Topological Polar Surface Area:63.6
Heavy Atom Count:32
Complexity:840
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate

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