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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

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

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

Approval Year

Name Type Language
25-HYDROXYTACHYSTEROL 3
Common Name English
9,10-Secocholesta-5(10),6,8-triene-3,25-diol, (3β,6E)-
Systematic Name English
25-HYDROXYTACHYSTEROL<SUB>3</SUB>
Common 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-α,α,ε,7a-tetramethyl-, (εR,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 Sat Dec 16 10:24:24 GMT 2023 , Edited by admin on Sat Dec 16 10:24:24 GMT 2023
PRIMARY
CAS
39932-44-0
Created by admin on Sat Dec 16 10:24:24 GMT 2023 , Edited by admin on Sat Dec 16 10:24:24 GMT 2023
PRIMARY
FDA UNII
ZEA0QJW0SK
Created by admin on Sat Dec 16 10:24:24 GMT 2023 , Edited by admin on Sat Dec 16 10:24:24 GMT 2023
PRIMARY
PUBCHEM
101670588
Created by admin on Sat Dec 16 10:24:24 GMT 2023 , Edited by admin on Sat Dec 16 10:24:24 GMT 2023
PRIMARY