25,26-DIHYDROXYCHOLECALCIFEROL

Details

Stereochemistry	RACEMIC
Molecular Formula	C27H44O3
Molecular Weight	416.6365
Optical Activity	( + / - )
Defined Stereocenters	5 / 6
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 25,26-DIHYDROXYCHOLECALCIFEROL

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)CCC3=C)[C@H](C)CCCC(C)(O)CO

InChI

InChIKey=QOWCBCXATJITSI-ZLNGONTQSA-N

InChI=1S/C27H44O3/c1-19-9-12-23(29)17-22(19)11-10-21-8-6-16-27(4)24(13-14-25(21)27)20(2)7-5-15-26(3,30)18-28/h10-11,20,23-25,28-30H,1,5-9,12-18H2,2-4H3/b21-10+,22-11-/t20-,23+,24-,25+,26?,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H44O3
Molecular Weight	416.6365
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Intestinal calcium transport activity 1 Target ID: Intestinal calcium transport activity Sources: https://www.ncbi.nlm.nih.gov/pubmed/1000334	Activator 1430

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:31:09 GMT 2023` Edited by `admin` on `Sat Dec 16 12:31:09 GMT 2023`
Record UNII	RLW81C81OQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

25,26-DIHYDROXYCHOLECALCIFEROL

Common Name

English

25,26-DIHYDROXYVITAMIN D3

Common Name

English

25,26-DIHYDROXYVITAMIN D

Common Name

English

(6R)-2-METHYL-6-((1R,3AS,4E,7AR)-OCTAHYDRO-4-((2Z)-2-((5S)-5-HYDROXY-2-METHYLENECYCLOHEXYLIDENE)ETHYLIDENE)-7A-METHYL-1H-INDEN-1-YL)-1,2-HEPTANEDIOL

Systematic Name

English

1,2-HEPTANEDIOL, 2-METHYL-6-((1R,3AS,4E,7AR)-OCTAHYDRO-4-((2Z)-2-((5S)-5-HYDROXY-2-METHYLENECYCLOHEXYLIDENE)ETHYLIDENE)-7A-METHYL-1H-INDEN-1-YL)-, (6R)-

Systematic Name

English

9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-3,25,26-TRIOL, (3.BETA.,5Z,7E)-

Systematic Name

English

Code System Code Type Description

CAS

29261-12-9

Created by admin on Sat Dec 16 12:31:09 GMT 2023 , Edited by admin on Sat Dec 16 12:31:09 GMT 2023

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EPA CompTox

DTXSID301312198

Created by admin on Sat Dec 16 12:31:09 GMT 2023 , Edited by admin on Sat Dec 16 12:31:09 GMT 2023

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PUBCHEM

21159907

Created by admin on Sat Dec 16 12:31:09 GMT 2023 , Edited by admin on Sat Dec 16 12:31:09 GMT 2023

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FDA UNII

RLW81C81OQ

Created by admin on Sat Dec 16 12:31:09 GMT 2023 , Edited by admin on Sat Dec 16 12:31:09 GMT 2023

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