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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H48O2
Molecular Weight 488.7437
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-DEHYDROCHOLESTEROL BENZOATE

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C5=CC=CC=C5

InChI

InChIKey=IHOQNBAZWVTKFK-BVBBTSNESA-N
InChI=1S/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-15,23-24,27,29-31H,9-11,16-22H2,1-5H3/t24-,27+,29-,30+,31+,33+,34-/m1/s1

HIDE SMILES / InChI

Molecular Formula C34H48O2
Molecular Weight 488.7437
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:33:23 GMT 2025
Edited
by admin
on Mon Mar 31 21:33:23 GMT 2025
Record UNII
BHY886542N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-18184
Preferred Name English
7-DEHYDROCHOLESTEROL BENZOATE
Common Name English
CHOLESTA-5,7-DIEN-3-OL, BENZOATE, (3.BETA.)-
Systematic Name English
3.BETA.-BENZOYLOXYCHOLESTA-5,7-DIENE
Systematic Name English
.DELTA.5,7-CHOLESTERYL BENZOATE
Common Name English
5,7-CHOLESTANDIEN-3BETA-OL, BENZOATE
Systematic Name English
Code System Code Type Description
CAS
1182-06-5
Created by admin on Mon Mar 31 21:33:23 GMT 2025 , Edited by admin on Mon Mar 31 21:33:23 GMT 2025
PRIMARY
CHEBI
34633
Created by admin on Mon Mar 31 21:33:23 GMT 2025 , Edited by admin on Mon Mar 31 21:33:23 GMT 2025
PRIMARY
PUBCHEM
102013
Created by admin on Mon Mar 31 21:33:23 GMT 2025 , Edited by admin on Mon Mar 31 21:33:23 GMT 2025
PRIMARY
FDA UNII
BHY886542N
Created by admin on Mon Mar 31 21:33:23 GMT 2025 , Edited by admin on Mon Mar 31 21:33:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID30883661
Created by admin on Mon Mar 31 21:33:23 GMT 2025 , Edited by admin on Mon Mar 31 21:33:23 GMT 2025
PRIMARY
ECHA (EC/EINECS)
214-653-6
Created by admin on Mon Mar 31 21:33:23 GMT 2025 , Edited by admin on Mon Mar 31 21:33:23 GMT 2025
PRIMARY
NSC
18184
Created by admin on Mon Mar 31 21:33:23 GMT 2025 , Edited by admin on Mon Mar 31 21:33:23 GMT 2025
PRIMARY