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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H36O8S
Molecular Weight 592.699
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2-Propanediol, 3-[(2R,3R,4S,5S)-tetrahydro-3-methoxy-4-[[(4-methylphenyl)sulfonyl]methyl]-5-(2-propen-1-yl)-2-furanyl]-, 1,2-dibenzoate, (2S)-

SMILES

CO[C@H]1[C@@H](C[C@@H](COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O[C@@H](CC=C)[C@@H]1CS(=O)(=O)C4=CC=C(C)C=C4

InChI

InChIKey=MFNWUFHZXVFGJU-WABYMJCHSA-N
InChI=1S/C33H36O8S/c1-4-11-29-28(22-42(36,37)27-18-16-23(2)17-19-27)31(38-3)30(41-29)20-26(40-33(35)25-14-9-6-10-15-25)21-39-32(34)24-12-7-5-8-13-24/h4-10,12-19,26,28-31H,1,11,20-22H2,2-3H3/t26-,28-,29-,30+,31+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
1,2-Propanediol, 3-[(2R,3R,4S,5S)-tetrahydro-3-methoxy-4-[[(4-methylphenyl)sulfonyl]methyl]-5-(2-propen-1-yl)-2-furanyl]-, 1,2-dibenzoate, (2S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
121342646
Created by admin on Sat Dec 16 20:01:35 GMT 2023 , Edited by admin on Sat Dec 16 20:01:35 GMT 2023
PRIMARY
FDA UNII
AEM5TS7A9Q
Created by admin on Sat Dec 16 20:01:35 GMT 2023 , Edited by admin on Sat Dec 16 20:01:35 GMT 2023
PRIMARY
CAS
1485528-66-2
Created by admin on Sat Dec 16 20:01:35 GMT 2023 , Edited by admin on Sat Dec 16 20:01:35 GMT 2023
PRIMARY