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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H44O2
Molecular Weight 400.6371
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 25-HYDROXYTACHYSTEROL 3

SMILES

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

InChI

InChIKey=UVVWRMXOHIVZBN-RPAZCORHSA-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/h9,11-12,20,23-25,28-29H,6-8,10,13-18H2,1-5H3/b12-11+/t20-,23+,24-,25+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H44O2
Molecular Weight 400.6371
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:13:02 GMT 2025
Edited
by admin
on Mon Mar 31 23:13:02 GMT 2025
Record UNII
ZEA0QJW0SK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
25-HYDROXYTACHYSTEROL 3
Common Name English
25-HYDROXYTACHYSTEROL<SUB>3</SUB>
Preferred Name English
9,10-Secocholesta-5(10),6,8-triene-3,25-diol, (3?,6E)-
Systematic Name English
CALCIFEDIOL MONOHYDRATE IMPURITY C [EP IMPURITY]
Common Name English
1H-Indene-1-pentanol, 4-[(1E)-2-[(5S)-5-hydroxy-2-methyl-1-cyclohexen-1-yl]ethenyl]-2,3,3a,6,7,7a-hexahydro-?,?,?,7a-tetramethyl-, (?R,1R,3aR,7aR)-
Systematic Name English
(3S,6E)-9,10-secocholesta-5(10),6,8-triene-3,25-diol
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID601100823
Created by admin on Mon Mar 31 23:13:02 GMT 2025 , Edited by admin on Mon Mar 31 23:13:02 GMT 2025
PRIMARY
CAS
39932-44-0
Created by admin on Mon Mar 31 23:13:02 GMT 2025 , Edited by admin on Mon Mar 31 23:13:02 GMT 2025
PRIMARY
FDA UNII
ZEA0QJW0SK
Created by admin on Mon Mar 31 23:13:02 GMT 2025 , Edited by admin on Mon Mar 31 23:13:02 GMT 2025
PRIMARY
PUBCHEM
101670588
Created by admin on Mon Mar 31 23:13:02 GMT 2025 , Edited by admin on Mon Mar 31 23:13:02 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY