19-NOR-1.ALPHA.,25-DIHYDROXYVITAMIN D3

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H44O3
Molecular Weight	404.6258
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 19-NOR-1.ALPHA.,25-DIHYDROXYVITAMIN D3

Structure Search

SMILES

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@]1(C)CCC\C2=C/C=C3C[C@@H](O)C[C@H](O)C3

InChI

InChIKey=PKFBWEUIKKCWEW-WEZTXPJVSA-N

InChI=1S/C26H44O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,5-8,11-17H2,1-4H3/b20-10+/t18-,21-,22-,23-,24+,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H44O3
Molecular Weight	404.6258
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:27:22 GMT 2025` Edited by `admin` on `Mon Mar 31 18:27:22 GMT 2025`
Record UNII	K5ZM856PSA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RO 27-5256

Preferred Name

English

19-NOR-1.ALPHA.,25-DIHYDROXYVITAMIN D3

Common Name

English

19-NORCALCITROL

Common Name

English

1,3-CYCLOHEXANEDIOL, 5-((2E)-2-((1R,3AS,7AR)-OCTAHYDRO-1-((1R)-5-HYDROXY-1,5-DIMETHYLHEXYL)-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-, (1R,3S)-

Systematic Name

English

Code System Code Type Description

CAS

130447-37-9

Created by admin on Mon Mar 31 18:27:22 GMT 2025 , Edited by admin on Mon Mar 31 18:27:22 GMT 2025

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PUBCHEM

9547326

Created by admin on Mon Mar 31 18:27:22 GMT 2025 , Edited by admin on Mon Mar 31 18:27:22 GMT 2025

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FDA UNII

K5ZM856PSA

Created by admin on Mon Mar 31 18:27:22 GMT 2025 , Edited by admin on Mon Mar 31 18:27:22 GMT 2025

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