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

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H45IO3Si
Molecular Weight 632.6879
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-[3-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]propyl]tetrahydro-?-[(2R)-3-iodo-2-methyl-3-buten-1-yl]-3-methylene-2-furanpropanol, (?R,2S,5S)-

SMILES

C[C@H](C[C@H](O)CC[C@@H]1O[C@@H](CCCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)CC1=C)C(I)=C

InChI

InChIKey=PTQLJJYCAVATSK-UOKCPPMWSA-N
InChI=1S/C32H45IO3Si/c1-24(26(3)33)22-27(34)19-20-31-25(2)23-28(36-31)14-13-21-35-37(32(4,5)6,29-15-9-7-10-16-29)30-17-11-8-12-18-30/h7-12,15-18,24,27-28,31,34H,2-3,13-14,19-23H2,1,4-6H3/t24-,27-,28+,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H45IO3Si
Molecular Weight 632.6879
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:53:26 GMT 2025
Edited
by admin
on Wed Apr 02 17:53:26 GMT 2025
Record UNII
NJ3W44X9P8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(?R,2S,5S)-5-[3-[[(1,1-dimethylethyl)diphenylsilyl]oxy]propyl]tetrahydro-?-[(2R)-3-iodo-2-methyl-3-buten-1-yl]-3-methylene-2-furanpropanol
Preferred Name English
5-[3-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]propyl]tetrahydro-?-[(2R)-3-iodo-2-methyl-3-buten-1-yl]-3-methylene-2-furanpropanol, (?R,2S,5S)-
Systematic Name English
2-Furanpropanol, 5-[3-[[(1,1-dimethylethyl)diphenylsilyl]oxy]propyl]tetrahydro-?-[(2R)-3-iodo-2-methyl-3-buten-1-yl]-3-methylene-, (?R,2S,5S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11490586
Created by admin on Wed Apr 02 17:53:26 GMT 2025 , Edited by admin on Wed Apr 02 17:53:26 GMT 2025
PRIMARY
FDA UNII
NJ3W44X9P8
Created by admin on Wed Apr 02 17:53:26 GMT 2025 , Edited by admin on Wed Apr 02 17:53:26 GMT 2025
PRIMARY
CAS
481048-24-2
Created by admin on Wed Apr 02 17:53:26 GMT 2025 , Edited by admin on Wed Apr 02 17:53:26 GMT 2025
PRIMARY