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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H46O3
Molecular Weight 418.6523
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 20-HYDROPEROXYCHOLEST-5-EN-3BETA-OL

SMILES

[H][C@@]12CC[C@]([H])([C@](C)(CCCC(C)C)OO)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC=C4C[C@@H](O)CC[C@]34C

InChI

InChIKey=HYNNOUOGQPRXDQ-APGJSSKUSA-N
InChI=1S/C27H46O3/c1-18(2)7-6-14-27(5,30-29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H46O3
Molecular Weight 418.6523
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:54:06 GMT 2023
Edited
by admin
on Fri Dec 15 18:54:06 GMT 2023
Record UNII
491K3LYV0F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
20-HYDROPEROXYCHOLEST-5-EN-3BETA-OL
Systematic Name English
(3.BETA.)-20-HYDROPEROXYCHOLEST-5-EN-3-OL
Systematic Name English
CHOLEST-5-EN-3-OL, 20-HYDROPEROXY-, (3.BETA.)-
Systematic Name English
CHOLEST-5-EN-3.BETA.-OL, 20-HYDROPEROXY-, (20S)-
Systematic Name English
3.BETA.-HYDROXYCHOLEST-5-ENE 20.ALPHA.-HYDROPEROXIDE
Systematic Name English
20.ALPHA.-HYDROPEROXYCHOLESTEROL
Common Name English
CHOLESTEROL 20.ALPHA.-HYDROPEROXIDE
Common Name English
Code System Code Type Description
CAS
23653-01-2
Created by admin on Fri Dec 15 18:54:06 GMT 2023 , Edited by admin on Fri Dec 15 18:54:06 GMT 2023
PRIMARY
FDA UNII
491K3LYV0F
Created by admin on Fri Dec 15 18:54:06 GMT 2023 , Edited by admin on Fri Dec 15 18:54:06 GMT 2023
PRIMARY
PUBCHEM
3082219
Created by admin on Fri Dec 15 18:54:06 GMT 2023 , Edited by admin on Fri Dec 15 18:54:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID50946469
Created by admin on Fri Dec 15 18:54:06 GMT 2023 , Edited by admin on Fri Dec 15 18:54:06 GMT 2023
PRIMARY