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Details

Stereochemistry RACEMIC
Molecular Formula C27H42O3
Molecular Weight 414.6206
Optical Activity ( + / - )
Defined Stereocenters 7 / 7
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 22-HYDROGENATED RACEMIC CALCIPOTRIOL

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)CC[C@H](O)C4CC4

InChI

InChIKey=NQHWMFGCRBTMOO-DWCMLEBJSA-N
InChI=1S/C27H42O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h7,10,17,20,22-26,28-30H,2,4-6,8-9,11-16H2,1,3H3/b19-7+,21-10-/t17-,22-,23-,24+,25+,26+,27-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
22-HYDROGENATED RACEMIC CALCIPOTRIOL
Common Name English
CALCIPOTRIOL IMPURITY E [EP IMPURITY]
Common Name English
CALCIPOTRIOL MONOHYDRATE IMPURITY E [EP IMPURITY]
Common Name English
RAC-(5Z,7E,24S)-24-CYCLOPROPYL-9,10-SECOCHOLA-5,7,10(19)-TRIENE-1.ALPHA.,3.BETA.,24-TRIOL
Common Name English
22-HYDROGENATED RACEMIC CALCIPOTRIENE
Common Name English
Code System Code Type Description
FDA UNII
96516X6183
Created by admin on Sat Dec 16 01:39:53 GMT 2023 , Edited by admin on Sat Dec 16 01:39:53 GMT 2023
PRIMARY
PUBCHEM
71576665
Created by admin on Sat Dec 16 01:39:53 GMT 2023 , Edited by admin on Sat Dec 16 01:39:53 GMT 2023
PRIMARY