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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H46O2
Molecular Weight 402.6529
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHOLESTEROL .ALPHA.-EPOXIDE

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C

InChI

InChIKey=PRYIJAGAEJZDBO-ZEQHCUNVSA-N
InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H46O2
Molecular Weight 402.6529
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 06:08:25 GMT 2023
Edited
by admin
on Sat Dec 16 06:08:25 GMT 2023
Record UNII
3UQ9PF5XBD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOLESTEROL .ALPHA.-EPOXIDE
Common Name English
NSC-18176
Code English
5.ALPHA.,6.ALPHA.-EPOXYCHOLESTAN-3.BETA.-OL
Systematic Name English
3.BETA.-HYDROXY-5,6.ALPHA.-EPOXY-5.ALPHA.-CHOLESTANE
Systematic Name English
CHOLESTAN-3-OL, 5,6-EPOXY-, (3.BETA.,5.ALPHA.,6.ALPHA.)-
Systematic Name English
3.BETA.-HYDROXYCHOLESTANE 5.ALPHA.,6.ALPHA.-EPOXIDE
Common Name English
5.ALPHA.-CHOLESTAN-3.BETA.-OL, 5,6.ALPHA.-EPOXY-
Systematic Name English
CHOLESTEROL .ALPHA.-OXIDE
Common Name English
5,6.ALPHA.-EPOXY-5.ALPHA.-CHOLESTAN-3.BETA.-OL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID101030546
Created by admin on Sat Dec 16 06:08:25 GMT 2023 , Edited by admin on Sat Dec 16 06:08:25 GMT 2023
PRIMARY
ECHA (EC/EINECS)
215-007-6
Created by admin on Sat Dec 16 06:08:25 GMT 2023 , Edited by admin on Sat Dec 16 06:08:25 GMT 2023
PRIMARY
CAS
1250-95-9
Created by admin on Sat Dec 16 06:08:25 GMT 2023 , Edited by admin on Sat Dec 16 06:08:25 GMT 2023
PRIMARY
FDA UNII
3UQ9PF5XBD
Created by admin on Sat Dec 16 06:08:25 GMT 2023 , Edited by admin on Sat Dec 16 06:08:25 GMT 2023
PRIMARY
PUBCHEM
227037
Created by admin on Sat Dec 16 06:08:25 GMT 2023 , Edited by admin on Sat Dec 16 06:08:25 GMT 2023
PRIMARY
NSC
18176
Created by admin on Sat Dec 16 06:08:25 GMT 2023 , Edited by admin on Sat Dec 16 06:08:25 GMT 2023
PRIMARY
CHEBI
49305
Created by admin on Sat Dec 16 06:08:25 GMT 2023 , Edited by admin on Sat Dec 16 06:08:25 GMT 2023
PRIMARY