1,24,25-TRIHYDROXY-CHOLECALCIFEROL

Details

Stereochemistry	MIXED
Molecular Formula	C27H44O4
Molecular Weight	432.6359
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 7
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 1,24,25-TRIHYDROXY-CHOLECALCIFEROL

Structure Search

SMILES

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

InChI

InChIKey=WFZKUWGUJVKMHC-ZAXLSTGFSA-N

InChI=1S/C27H44O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-25,28-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24?,25?,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H44O4
Molecular Weight	432.6359
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	5 / 7
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:21:49 UTC 2023` Edited by `admin` on `Sat Dec 16 13:21:49 UTC 2023`
Record UNII	U55H147PRD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,24,25-TRIHYDROXY-CHOLECALCIFEROL

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

1,24,25-TRIHYDROXYVITAMIN D3

Common Name

English

9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,24,25-TETROL, (3.BETA.,5Z,7E)-

Common Name

English

(1R,5Z)-5-((2E)-2-((1R,3AS,7AR)-1-((1R)-4,5-DIHYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE)ETHYLIDENE)-4-METHYLENE-CYCLOHEXANE-1,3-DIOL

Systematic Name

English

1,24,25-TRIHYDROXYCHOLECALCIFEROL

Common Name

English

Code System Code Type Description

CAS

50648-94-7

Created by admin on Sat Dec 16 13:21:49 UTC 2023 , Edited by admin on Sat Dec 16 13:21:49 UTC 2023

PRIMARY

FDA UNII

U55H147PRD

Created by admin on Sat Dec 16 13:21:49 UTC 2023 , Edited by admin on Sat Dec 16 13:21:49 UTC 2023

PRIMARY

PUBCHEM

20839095

Created by admin on Sat Dec 16 13:21:49 UTC 2023 , Edited by admin on Sat Dec 16 13:21:49 UTC 2023

PRIMARY

EPA CompTox

DTXSID10198689

Created by admin on Sat Dec 16 13:21:49 UTC 2023 , Edited by admin on Sat Dec 16 13:21:49 UTC 2023

PRIMARY

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