U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H44O
Molecular Weight 396.6484
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of ISOTACHYSTEROL

SMILES

[H][C@@]1(CCC2=C(CCC[C@]12C)\C=C\C3=C(C)CC[C@H](O)C3)[C@H](C)\C=C\[C@H](C)C(C)C

InChI

InChIKey=WHIQZYTVWTZJNO-GMPZOFGBSA-N
InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-26,29H,7-8,11,14-18H2,1-6H3/b10-9+,13-12+/t20-,22+,25-,26+,28+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOTACHYSTEROL
Common Name English
3-CYCLOHEXEN-1-OL, 3-((1E)-2-((1R,7AR)-2,3,5,6,7,7A-HEXAHYDRO-7A-METHYL-1-((1R,2E,4R)-1,4,5-TRIMETHYL-2-HEXEN-1-YL)-1H-INDEN-4-YL)ETHENYL)-4-METHYL-, (1S)-
Systematic Name English
ISOTACHYSTEROL2
Common Name English
ERGOCALCIFEROL IMPURITY D [EP IMPURITY]
Common Name English
9,10-SECOERGOSTA-5(10),6,8(14),22-TETRAEN-3-OL, (3.BETA.,6E,22E)-
Systematic Name English
ISOTACHYSTEROL 2
Common Name English
(6E,22E)-9,10-SECOERGOSTA-5(10),6,8(14),22-TETRAEN-3.BETA.-OL
Systematic Name English
9,10-SECOERGOSTA-5(10),6,8(14),22-TETRAEN-3.BETA.-OL, (6E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9547231
Created by admin on Fri Dec 15 17:53:34 GMT 2023 , Edited by admin on Fri Dec 15 17:53:34 GMT 2023
PRIMARY
FDA UNII
9A3Y6WT6UF
Created by admin on Fri Dec 15 17:53:34 GMT 2023 , Edited by admin on Fri Dec 15 17:53:34 GMT 2023
PRIMARY
CAS
469-06-7
Created by admin on Fri Dec 15 17:53:34 GMT 2023 , Edited by admin on Fri Dec 15 17:53:34 GMT 2023
PRIMARY