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457603-63-3

457603-63-3 Structure

457603-63-3 Structure
IdentificationBack Directory
[Name]

Cholestan-6-one, 2,3,14,20,22,25-hexahydroxy-, (2β,3β,5β,22R)-
[CAS]

457603-63-3
[Synonyms]

14-Hydroxylated brassinosteroid
(2β,3β,5β,22R)-2,3,14,20,22,25-Hexahydroxycholestan-6-one
Cholestan-6-one, 2,3,14,20,22,25-hexahydroxy-, (2β,3β,5β,22R)-
Cholestan-6-one, 2,3,14,20,22,25-hexahydroxy-, (2β,3β,5β,22R)-
[Molecular Formula]

C27H46O7
[MOL File]

457603-63-3.mol
[Molecular Weight]

482.66
Chemical PropertiesBack Directory
[Boiling point ]

680.1±55.0 °C(Predicted)
[density ]

1.264±0.06 g/cm3(Predicted)
[pka]

14.33±0.70(Predicted)
[InChIKey]

BQBNNBSUBAJFJD-ADWKGGPQNA-N
[SMILES]

O[C@@]12CC[C@]([H])([C@](O)(C)[C@H](O)CCC(O)(C)C)[C@]1(CC[C@]1([H])[C@]3(C[C@H](O)[C@H](O)C[C@@]3([H])C(=O)C[C@@]21[H])C)C |&1:1,4,6,9,17,20,22,24,26,29,34,r|
Hazard InformationBack Directory
[Uses]

(2β,3β,5β,22R)-2,3,14,20,22,25-Hexahydroxycholestan-6-one is a plant growth regulator and has agricultural applications.
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