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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H54O6
Molecular Weight 546.7783
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 3.BETA.-D-GLUCOPYRANOSYLVITAMIN D3

SMILES

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3\C[C@H](CCC3=C)O[C@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](C)CCCC(C)C

InChI

InChIKey=TZHZRFDYMGRNII-OTNJCUTNSA-N
InChI=1S/C33H54O6/c1-20(2)8-6-9-22(4)26-15-16-27-23(10-7-17-33(26,27)5)12-13-24-18-25(14-11-21(24)3)38-32-31(37)30(36)29(35)28(19-34)39-32/h12-13,20,22,25-32,34-37H,3,6-11,14-19H2,1-2,4-5H3/b23-12+,24-13-/t22-,25+,26-,27+,28-,29-,30+,31-,32-,33-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3.BETA.-D-GLUCOPYRANOSYLVITAMIN D3
Common Name English
O-(.BETA.-D-GLUCOPYRANOSYL)CHOLECALCIFEROL
Common Name English
VITAMIN D3 GLUCOSIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDE, (1S,3Z)-3-((2E)-2-((1R,3AS,7AR)-1-((1R)-1,5-DIMETHYLHEXYL)OCTAHYDRO-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-4-METHYLENECYCLOHEXYL
Systematic Name English
Code System Code Type Description
FDA UNII
Z44D5F3KC3
Created by admin on Fri Dec 15 15:16:20 GMT 2023 , Edited by admin on Fri Dec 15 15:16:20 GMT 2023
PRIMARY
PUBCHEM
21764976
Created by admin on Fri Dec 15 15:16:20 GMT 2023 , Edited by admin on Fri Dec 15 15:16:20 GMT 2023
PRIMARY
CAS
88508-78-5
Created by admin on Fri Dec 15 15:16:20 GMT 2023 , Edited by admin on Fri Dec 15 15:16:20 GMT 2023
PRIMARY