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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H46O
Molecular Weight 386.6535
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of I-CHOLESTEROL

SMILES

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

InChI

InChIKey=IBDXZWQCLMSDKQ-FDXOKOSPSA-N
InChI=1S/C27H46O/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(28)27-16-19(27)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 C27H46O
Molecular Weight 386.6535
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 Mon Mar 31 23:40:23 GMT 2025
Edited
by admin
on Mon Mar 31 23:40:23 GMT 2025
Record UNII
L551W04084
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-134930
Preferred Name English
I-CHOLESTEROL
Common Name English
6.BETA.-HYDROXY-3.ALPHA.,5-CYCLO-5.ALPHA.-CHOLESTANE
Systematic Name English
3.ALPHA.,5-CYCLO-5.ALPHA.-CHOLESTAN-6.BETA.-OL
Systematic Name English
(3.ALPHA.,5R,6.BETA.)-3,5-CYCLOCHOLESTAN-6-OL
Systematic Name English
3,5-CYCLOCHOLESTAN-6-OL, (3.ALPHA.,5R,6.BETA.)-
Systematic Name English
3,5-CYCLO-5.ALPHA.-CHOLESTAN-6.BETA.-OL
Systematic Name English
Code System Code Type Description
NSC
134930
Created by admin on Mon Mar 31 23:40:23 GMT 2025 , Edited by admin on Mon Mar 31 23:40:23 GMT 2025
PRIMARY
FDA UNII
L551W04084
Created by admin on Mon Mar 31 23:40:23 GMT 2025 , Edited by admin on Mon Mar 31 23:40:23 GMT 2025
PRIMARY
PUBCHEM
12309581
Created by admin on Mon Mar 31 23:40:23 GMT 2025 , Edited by admin on Mon Mar 31 23:40:23 GMT 2025
PRIMARY
CAS
59613-50-2
Created by admin on Mon Mar 31 23:40:23 GMT 2025 , Edited by admin on Mon Mar 31 23:40:23 GMT 2025
SUPERSEDED
CAS
465-54-3
Created by admin on Mon Mar 31 23:40:23 GMT 2025 , Edited by admin on Mon Mar 31 23:40:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID80963588
Created by admin on Mon Mar 31 23:40:23 GMT 2025 , Edited by admin on Mon Mar 31 23:40:23 GMT 2025
PRIMARY