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

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H56O6SSi2
Molecular Weight 613.009
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (5S)-2,2,3,3,8,8,9,9-Octamethyl-5-[[(2R,3R,4S,5S)-tetrahydro-3-methoxy-4-[[(4-methylphenyl)sulfonyl]methyl]-5-(2-propen-1-yl)-2-furanyl]methyl]-4,7-dioxa-3,8-disiladecane

SMILES

CO[C@H]1[C@@H](C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](CC=C)[C@@H]1CS(=O)(=O)C2=CC=C(C)C=C2

InChI

InChIKey=XKWMVKFHMNTIPA-MQKGOTMSSA-N
InChI=1S/C31H56O6SSi2/c1-14-15-27-26(22-38(32,33)25-18-16-23(2)17-19-25)29(34-9)28(36-27)20-24(37-40(12,13)31(6,7)8)21-35-39(10,11)30(3,4)5/h14,16-19,24,26-29H,1,15,20-22H2,2-13H3/t24-,26-,27-,28+,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H56O6SSi2
Molecular Weight 613.009
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:06:55 GMT 2023
Edited
by admin
on Sat Dec 16 20:06:55 GMT 2023
Record UNII
QT3X9LSV55
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(5S)-2,2,3,3,8,8,9,9-Octamethyl-5-[[(2R,3R,4S,5S)-tetrahydro-3-methoxy-4-[[(4-methylphenyl)sulfonyl]methyl]-5-(2-propen-1-yl)-2-furanyl]methyl]-4,7-dioxa-3,8-disiladecane
Systematic Name English
4,7-Dioxa-3,8-disiladecane, 2,2,3,3,8,8,9,9-octamethyl-5-[[(2R,3R,4S,5S)-tetrahydro-3-methoxy-4-[[(4-methylphenyl)sulfonyl]methyl]-5-(2-propen-1-yl)-2-furanyl]methyl]-, (5S)-
Systematic Name English
Code System Code Type Description
CAS
1808153-91-4
Created by admin on Sat Dec 16 20:06:55 GMT 2023 , Edited by admin on Sat Dec 16 20:06:55 GMT 2023
PRIMARY
FDA UNII
QT3X9LSV55
Created by admin on Sat Dec 16 20:06:55 GMT 2023 , Edited by admin on Sat Dec 16 20:06:55 GMT 2023
PRIMARY