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

Details

Stereochemistry ABSOLUTE
Molecular Formula C33H49N
Molecular Weight 459.7489
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1'H-CHOLEST-2-ENO(3,2-B)INDOLE, (5.ALPHA.)-

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC5=C(C[C@]4(C)[C@H]3CC[C@]12C)C6=C(N5)C=CC=C6

InChI

InChIKey=UJPMSSIEJPGKGY-YHPMGPRQSA-N
InChI=1S/C33H49N/c1-21(2)9-8-10-22(3)27-15-16-28-25-14-13-23-19-31-26(24-11-6-7-12-30(24)34-31)20-33(23,5)29(25)17-18-32(27,28)4/h6-7,11-12,21-23,25,27-29,34H,8-10,13-20H2,1-5H3/t22-,23+,25+,27-,28+,29+,32-,33+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-61708
Preferred Name English
1'H-CHOLEST-2-ENO(3,2-B)INDOLE, (5.ALPHA.)-
Common Name English
1'H-5.ALPHA.-CHOLEST-2-ENO(3,2-B)INDOLE
Systematic Name English
Code System Code Type Description
PUBCHEM
247301
Created by admin on Mon Mar 31 21:16:07 GMT 2025 , Edited by admin on Mon Mar 31 21:16:07 GMT 2025
PRIMARY
NSC
61708
Created by admin on Mon Mar 31 21:16:07 GMT 2025 , Edited by admin on Mon Mar 31 21:16:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID20289512
Created by admin on Mon Mar 31 21:16:07 GMT 2025 , Edited by admin on Mon Mar 31 21:16:07 GMT 2025
PRIMARY
CAS
4356-25-6
Created by admin on Mon Mar 31 21:16:07 GMT 2025 , Edited by admin on Mon Mar 31 21:16:07 GMT 2025
PRIMARY
FDA UNII
18QT386FL9
Created by admin on Mon Mar 31 21:16:07 GMT 2025 , Edited by admin on Mon Mar 31 21:16:07 GMT 2025
PRIMARY