1.BETA.-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@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)C[C@@H](O)C3=C)[C@H](C)CCCC(C)(C)O

InChI

InChIKey=GMRQFYUYWCNGIN-PEJFXWBPSA-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 01:39:57 UTC 2023` Edited by `admin` on `Sat Dec 16 01:39:57 UTC 2023`
Record UNII	IR1PLU81NA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1.BETA.-CALCITRIOL

Common Name

English

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

Common Name

English

1.BETA.,25-DIHYDROXYCHOLECALCIFEROL

Common Name

English

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

Common Name

English

NS 8

Code

English

CALCITRIOL IMPURITY B [EP IMPURITY]

Common Name

English

1-EPICALCITRIOL

Common Name

English

1.BETA.,25-DIHYDROXYVITAMIN-D3

Common Name

English

Code System Code Type Description

CAS

66791-71-7

Created by admin on Sat Dec 16 01:39:57 UTC 2023 , Edited by admin on Sat Dec 16 01:39:57 UTC 2023

PRIMARY

PUBCHEM

5283741

Created by admin on Sat Dec 16 01:39:57 UTC 2023 , Edited by admin on Sat Dec 16 01:39:57 UTC 2023

PRIMARY

FDA UNII

IR1PLU81NA

Created by admin on Sat Dec 16 01:39:57 UTC 2023 , Edited by admin on Sat Dec 16 01:39:57 UTC 2023

PRIMARY

Related Record Type Details


					FXC9231JVH

CALCITRIOL

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: