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TEI 9647

TEI 9647 structure

TEI 9647 

structure
  • CAS No:

    173388-20-0

  • Formula:

    C27H38O4

  • Chemical Name:

    TEI 9647

  • Synonyms:

    2(3H)-Furanone,5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]propyl]dihydro-3-methylene-,(5S)-;9,10-Secocholesta-5,7,10(19),25(27)-tetraen-26-oic acid,1,3,23-trihydroxy-,γ-lactone,(1α,3β,5Z,7E,23S)-;(5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-Dihydroxy-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]propyl]dihydro-3-methylene-2(3H)-furanone;TEI 9647;1246849-95-5

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

(23S)-1-hydroxy-25,27-didehydrovitamin D3 26,23-lactone is a vitamin D.

TEI 9647 Basic Attributes

426.58800

426.59

Characteristics

66.76000

5.02530

618.492ºC at 760 mmHg

204.543ºC

1.567

0mmHg at 25°C

Drug Information

25-dehydro-1-hydroxyvitamin D(3)-26,23-lactone

TEI 9647 Use and Manufacturing

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

Computed Properties

Molecular Weight:426.6
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:426.27700969
Monoisotopic Mass:426.27700969
Topological Polar Surface Area:66.8
Heavy Atom Count:31
Complexity:821
Defined Atom Stereocenter Count:7
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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