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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H42O7S
Molecular Weight 474.651
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PETROMYZONOL SULFATE

SMILES

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

InChI

InChIKey=BKZKSSHAWFCVDU-JLIFGLSWSA-N
InChI=1S/C24H42O7S/c1-14(5-4-10-31-32(28,29)30)17-6-7-18-22-19(13-21(27)24(17,18)3)23(2)9-8-16(25)11-15(23)12-20(22)26/h14-22,25-27H,4-13H2,1-3H3,(H,28,29,30)/t14-,15-,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H42O7S
Molecular Weight 474.651
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:48:39 GMT 2025
Edited
by admin
on Mon Mar 31 18:48:39 GMT 2025
Record UNII
3N46RR2Q4E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOLANE-3,7,12,24-TETROL, 24-(HYDROGEN SULFATE), (3.ALPHA.,5.ALPHA.,7.ALPHA.,12.ALPHA.)-
Preferred Name English
PETROMYZONOL SULFATE
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 801
Created by admin on Mon Mar 31 18:48:39 GMT 2025 , Edited by admin on Mon Mar 31 18:48:39 GMT 2025
Code System Code Type Description
PUBCHEM
5200193
Created by admin on Mon Mar 31 18:48:39 GMT 2025 , Edited by admin on Mon Mar 31 18:48:39 GMT 2025
PRIMARY
CAS
20311-93-7
Created by admin on Mon Mar 31 18:48:39 GMT 2025 , Edited by admin on Mon Mar 31 18:48:39 GMT 2025
PRIMARY
FDA UNII
3N46RR2Q4E
Created by admin on Mon Mar 31 18:48:39 GMT 2025 , Edited by admin on Mon Mar 31 18:48:39 GMT 2025
PRIMARY
EPA CompTox
DTXSID70897722
Created by admin on Mon Mar 31 18:48:39 GMT 2025 , Edited by admin on Mon Mar 31 18:48:39 GMT 2025
PRIMARY