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Home > Encyclopedia > [(1S,4R,5R,6R,7R,8R,11R,14S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecan-8-yl] acetate

[(1S,4R,5R,6R,7R,8R,11R,14S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecan-8-yl] acetate

[(1S,4R,5R,6R,7R,8R,11R,14S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecan-8-yl] acetate structure

[(1S,4R,5R,6R,7R,8R,11R,14S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecan-8-yl] acetate 

structure
  • CAS No:

    77648-51-2

  • Formula:

    C22H30O9

  • Chemical Name:

    [(1S,4R,5R,6R,7R,8R,11R,14S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecan-8-yl] acetate

  • Synonyms:

    holacanthone;NSC 126765;77648-51-2;DTXSID10998863;1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasan-15-yl acetate

[(1S,4R,5R,6R,7R,8R,11R,14S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecan-8-yl] acetate Basic Attributes

438.5 g/mol

438.18898253 g/mol

Characteristics

140 Ų

Drug Information

holacanthone

Computed Properties

Molecular Weight:438.5
XLogP3:0.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:2
Exact Mass:438.18898253
Monoisotopic Mass:438.18898253
Topological Polar Surface Area:140
Heavy Atom Count:31
Complexity:858
Defined Atom Stereocenter Count:11
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(1S,4R,5R,6R,7R,8R,11R,14S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecan-8-yl] acetate

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