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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H48O3
Molecular Weight 420.6682
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3.BETA.,5.ALPHA.,6.BETA.-TRIHYDROXYCHOLESTANE

SMILES

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

InChI

InChIKey=YMMFNKXZULYSOQ-RUXQDQFYSA-N
InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H48O3
Molecular Weight 420.6682
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 19:57:08 GMT 2025
Edited
by admin
on Mon Mar 31 19:57:08 GMT 2025
Record UNII
5XAB8PH90A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3.BETA.,5.ALPHA.,6.BETA.-TRIHYDROXYCHOLESTANE
Systematic Name English
NSC-124751
Preferred Name English
NSC-18178
Code English
3.BETA.-HYDROXYCHOLESTANE-5.ALPHA.,6.BETA.-DIOL
Systematic Name English
CHOLESTANE-3,5,6-TRIOL, (3.BETA.,5.ALPHA.,6.BETA.)-
Systematic Name English
CHOLESTANE-3,5,6-TRIOL, (3BETA,5ALPHA,6BETA)-
Systematic Name English
CHOLESTA-3.BETA.,5.ALPHA.,6.BETA.-TRIOL
Common Name English
5.ALPHA.,6.BETA.-DIHYDROXYCHOLESTANOL
Systematic Name English
5.ALPHA.-CHOLESTANE-3.BETA.,5,6.BETA.-TRIOL
Systematic Name English
CHOLESTANE-3.BETA.,5.ALPHA.,6.BETA.-TRIOL
Systematic Name English
Code System Code Type Description
NSC
124751
Created by admin on Mon Mar 31 19:57:08 GMT 2025 , Edited by admin on Mon Mar 31 19:57:08 GMT 2025
PRIMARY
NSC
18178
Created by admin on Mon Mar 31 19:57:08 GMT 2025 , Edited by admin on Mon Mar 31 19:57:08 GMT 2025
PRIMARY
PUBCHEM
91498
Created by admin on Mon Mar 31 19:57:08 GMT 2025 , Edited by admin on Mon Mar 31 19:57:08 GMT 2025
PRIMARY
CAS
1253-84-5
Created by admin on Mon Mar 31 19:57:08 GMT 2025 , Edited by admin on Mon Mar 31 19:57:08 GMT 2025
PRIMARY
FDA UNII
5XAB8PH90A
Created by admin on Mon Mar 31 19:57:08 GMT 2025 , Edited by admin on Mon Mar 31 19:57:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID70862612
Created by admin on Mon Mar 31 19:57:08 GMT 2025 , Edited by admin on Mon Mar 31 19:57:08 GMT 2025
PRIMARY