D6-25-HYDROXYVITAMIN D3

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H44O2
Molecular Weight	406.674
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
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)CCC3=C)[C@H](C)CCCC(O)(C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

InChIKey=JWUBBDSIWDLEOM-QFVHMXLQSA-N

InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1/i3D3,4D3

HIDE SMILES / InChI

Molecular Formula	C27H44O2
Molecular Weight	406.674
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:04:12 GMT 2023` Edited by `admin` on `Sat Dec 16 15:04:12 GMT 2023`
Record UNII	378HY809HV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

D6-25-HYDROXYVITAMIN D3

Common Name

English

D6-25-HYDROXYVITAMIN D3 (26,26,26,27,27,27-D6)

Common Name

English

1H-INDENE-1-PENTANOL, 4-((2Z)-2-((5S)-5-HYDROXY-2-METHYLENECYCLOHEXYLIDENE)ETHYLIDENE)OCTAHYDRO-.EPSILON.,7A-DIMETHYL-.ALPHA.,.ALPHA.-BIS(METHYL-D3)-, (.EPSILON.R,1R,3AS,4E,7AR)-

Systematic Name

English

CALCIFEDIOL-D6

Common Name

English

Code System Code Type Description

CAS

78782-98-6

Created by admin on Sat Dec 16 15:04:12 GMT 2023 , Edited by admin on Sat Dec 16 15:04:12 GMT 2023

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FDA UNII

378HY809HV

Created by admin on Sat Dec 16 15:04:12 GMT 2023 , Edited by admin on Sat Dec 16 15:04:12 GMT 2023

PRIMARY

PUBCHEM

66577010

Created by admin on Sat Dec 16 15:04:12 GMT 2023 , Edited by admin on Sat Dec 16 15:04:12 GMT 2023

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EPA CompTox

DTXSID20735347

Created by admin on Sat Dec 16 15:04:12 GMT 2023 , Edited by admin on Sat Dec 16 15:04:12 GMT 2023

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