TRANS-CALCITRIOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H44O3
Molecular Weight	416.6365
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@H]([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC\C2=C/C=C3\C[C@@H](O)C[C@H](O)C3=C

InChI

InChIKey=GMRQFYUYWCNGIN-DRQJEBLXSA-N

InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11+/t18-,22-,23-,24+,25+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H44O3
Molecular Weight	416.6365
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:39:58 UTC 2023` Edited by `admin` on `Sat Dec 16 01:39:58 UTC 2023`
Record UNII	I1L29CLX3C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRANS-CALCITRIOL

Common Name

English

5,6-TRANS-1.ALPHA.,25-DIHYDROXYVITAMIN D3

Common Name

English

(5E,7E)-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1.ALPHA.,3.BETA.,25-TRIOL

Common Name

English

9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, (1.ALPHA.,3.BETA.,5E,7E)-

Common Name

English

1.ALPHA.,25-DIHYDROXY-5,6-TRANS-VITAMIN D3

Common Name

English

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

Common Name

English

CALCITRIOL IMPURITY A [EP IMPURITY]

Common Name

English

1,25-DIHYDROXY-5,6-TRANS-VITAMIN D3

Common Name

English

Code System Code Type Description

PUBCHEM

5283740

Created by admin on Sat Dec 16 01:39:58 UTC 2023 , Edited by admin on Sat Dec 16 01:39:58 UTC 2023

PRIMARY

CAS

73837-24-8

Created by admin on Sat Dec 16 01:39:58 UTC 2023 , Edited by admin on Sat Dec 16 01:39:58 UTC 2023

PRIMARY

FDA UNII

I1L29CLX3C

Created by admin on Sat Dec 16 01:39:58 UTC 2023 , Edited by admin on Sat Dec 16 01:39:58 UTC 2023

PRIMARY

Related Record Type Details


					FXC9231JVH

CALCITRIOL

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: