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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

C[C@H](CC[C@H](O)C1CC1)[C@H]2CC[C@@H]3[C@]2(C)CCC\C3=C/C=C4/C[C@@H](O)C[C@H](O)C4=C

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

Molecular Formula C27H42O3
Molecular Weight 414.6206
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:57:00 GMT 2025
Edited
by admin
on Mon Mar 31 20:57:00 GMT 2025
Record UNII
96516X6183
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
22-HYDROGENATED RACEMIC CALCIPOTRIOL
Common Name English
22-HYDROGENATED RACEMIC CALCIPOTRIENE
Preferred 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
Code System Code Type Description
DAILYMED
96516X6183
Created by admin on Mon Mar 31 20:57:00 GMT 2025 , Edited by admin on Mon Mar 31 20:57:00 GMT 2025
PRIMARY
FDA UNII
96516X6183
Created by admin on Mon Mar 31 20:57:00 GMT 2025 , Edited by admin on Mon Mar 31 20:57:00 GMT 2025
PRIMARY
PUBCHEM
71576665
Created by admin on Mon Mar 31 20:57:00 GMT 2025 , Edited by admin on Mon Mar 31 20:57:00 GMT 2025
PRIMARY
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