24-HOMO-1,25-DIHYDROXYVITAMIN D3

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H46O3
Molecular Weight	430.663
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 24-HOMO-1,25-DIHYDROXYVITAMIN D3

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)CCCCC(C)(C)O

InChI

InChIKey=WKTIGYIYJKESCJ-JJWMBMNSSA-N

InChI=1S/C28H46O3/c1-19(9-6-7-15-27(3,4)31)24-13-14-25-21(10-8-16-28(24,25)5)11-12-22-17-23(29)18-26(30)20(22)2/h11-12,19,23-26,29-31H,2,6-10,13-18H2,1,3-5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H46O3
Molecular Weight	430.663
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Vitamin D3 receptor 9 Target ID: P11473 Gene ID: 7421.0 Gene Symbol: VDR Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/3033654	Binding Agent 1064

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:39:58 GMT 2023` Edited by `admin` on `Sat Dec 16 01:39:58 GMT 2023`
Record UNII	F35KTH803S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

24-HOMO-1,25-DIHYDROXYVITAMIN D3

Common Name

English

MC 1127

Code

English

1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-((2E)-((1R,3AS,7AR)-OCTAHYDRO-1-((1R)-6-HYDROXY-1,6-DIMETHYLHEPTYL)-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-, (1R,3S,5Z)-

Common Name

English

METHYLENE CALCITRIOL

Common Name

English

1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-(2-(OCTAHYDRO-1-(6-HYDROXY-1,6-DIMETHYLHEPTYL)-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-, (1R-(1.ALPHA.(R*),3A.BETA.,4E(1R*,3S*,5Z),7A.ALPHA.))-

Common Name

English

MC-1127

Common Name

English

1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-((2E)-2-((1R,3AS,7AR)-OCTAHYDRO-1-((1R)-6-HYDROXY-1,6-DIMETHYLHEPTYL)-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-, (1R,3S,5Z)-

Common Name

English

(5Z,7E)-1.ALPHA.,3.BETA.-DIHYDROXY-17-((R)-7-HYDROXY-7-METHYLOCTAN-2-YL)-9,10-SECOANDROSTA-5,7,10(19)-TRIENE

Common Name

English

Code System Code Type Description

CAS

103656-40-2