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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 of D6-25-HYDROXYVITAMIN D3

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

Approval Year

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
PRIMARY
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
PRIMARY
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
PRIMARY