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Home > Encyclopedia > [(3aR,6Z,10Z,12S,14Z,15aS)-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate

[(3aR,6Z,10Z,12S,14Z,15aS)-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate

[(3aR,6Z,10Z,12S,14Z,15aS)-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate structure

[(3aR,6Z,10Z,12S,14Z,15aS)-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate 

structure
  • CAS No:

    104992-94-1

  • Formula:

    C22H30O4

  • Chemical Name:

    [(3aR,6Z,10Z,12S,14Z,15aS)-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate

  • Synonyms:

    kericembrenolide A;

  • Categories:

    Organic Chemistry  >  Lactones

[(3aR,6Z,10Z,12S,14Z,15aS)-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate Basic Attributes

358.47100

358.21440943

Characteristics

52.60000

4.81890

1.07g/cm3

503.7ºC

250ºC

1.521

0mmHg at 25°C

Drug Information

kericembrenolide A

Computed Properties

Molecular Weight:358.5
XLogP3:2.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:358.21440943
Monoisotopic Mass:358.21440943
Topological Polar Surface Area:52.6
Heavy Atom Count:26
Complexity:666
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(3aR,6Z,10Z,12S,14Z,15aS)-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-12-yl] acetate

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