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Tachysterol3

Tachysterol3 structure

Tachysterol3 

structure
  • CAS No:

    17592-07-3

  • Formula:

    C27H44O

  • Chemical Name:

    Tachysterol3

  • Synonyms:

    3-Cyclohexen-1-ol,3-[(1E)-2-[(1R,3aR,7aR)-1-[(1R)-1,5-dimethylhexyl]-2,3,3a,6,7,7a-hexahydro-7a-methyl-1H-inden-4-yl]ethenyl]-4-methyl-,(1S)-;Tachysterol3;9,10-Secocholesta-5(10),6,8-trien-3-ol,(3β,6E)-;(1S)-3-[(1E)-2-[(1R,3aR,7aR)-1-[(1R)-1,5-Dimethylhexyl]-2,3,3a,6,7,7a-hexahydro-7a-methyl-1H-inden-4-yl]ethenyl]-4-methyl-3-cyclohexen-1-ol;76189-23-6

Description

Pale Yellow Sticky Gel


Solid


Tachysterol 3 is a hydroxy seco-steroid that results from the photoisomerization of previtamin D3. It has a role as a human metabolite. It is a seco-cholestane, a hydroxy seco-steroid and a secondary alcohol.

Tachysterol3 Basic Attributes

384.63766

384.64

241-561-3

6RR0I9PK8W

Characteristics

20.2

7.7

Solid

1.017±0.06 g/cm3(Predicted)

496.0±24.0 °C(Predicted)

Drug Information

(3S,6E)-9,10-Secocholesta-5(10),6,8-trien-3-ol

Tachysterol3 Use and Manufacturing

Uses

Tachysterol3 is a bioactive, synthetic vitamin D3 analog.

Lipids -> Sterol Lipids [ST] -> Secosteroids [ST03] -> Vitamin D3 and derivatives [ST0302]

Computed Properties

Molecular Weight:384.6
XLogP3:7.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:7
Exact Mass:384.339216023
Monoisotopic Mass:384.339216023
Topological Polar Surface Area:20.2
Heavy Atom Count:28
Complexity:622
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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