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Details

Stereochemistry MIXED
Molecular Formula C27H46O
Molecular Weight 390.6698
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHOLESTEROL, H-3

SMILES

[3H]C1C([3H])[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C[C@H]1O)[C@H](C)CCCC(C)C

InChI

InChIKey=HVYWMOMLDIMFJA-OZXVBKCJSA-N
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i13T,15T/t13?,15?,19-,21+,22+,23-,24+,25+,26+,27-

HIDE SMILES / InChI

Molecular Formula C27H46O
Molecular Weight 390.6698
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 8 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 09:53:05 GMT 2025
Edited
by admin
on Wed Apr 02 09:53:05 GMT 2025
Record UNII
E826648RKN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOLESTEROL, H-3
Common Name English
3H-CHOLESTEROL
Preferred Name English
CHOLESTEROL-1,2-3H2
Common Name English
H3-CHOLESTEROL
Common Name English
CHOLEST-5-EN-1,2-T2-3-OL, (3.BETA.)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID30939056
Created by admin on Wed Apr 02 09:53:05 GMT 2025 , Edited by admin on Wed Apr 02 09:53:05 GMT 2025
PRIMARY
CAS
17822-79-6
Created by admin on Wed Apr 02 09:53:05 GMT 2025 , Edited by admin on Wed Apr 02 09:53:05 GMT 2025
PRIMARY
CAS
22243-67-0
Created by admin on Wed Apr 02 09:53:05 GMT 2025 , Edited by admin on Wed Apr 02 09:53:05 GMT 2025
NON-SPECIFIC SUBSTITUTION
FDA UNII
E826648RKN
Created by admin on Wed Apr 02 09:53:05 GMT 2025 , Edited by admin on Wed Apr 02 09:53:05 GMT 2025
PRIMARY
PUBCHEM
167677
Created by admin on Wed Apr 02 09:53:05 GMT 2025 , Edited by admin on Wed Apr 02 09:53:05 GMT 2025
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED
Related Record Type Details
ACTIVE MOIETY