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)-

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)-

Structure Search

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

Molecular Formula	C33H36O8S
Molecular Weight	592.699
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 `Wed Apr 02 18:03:46 GMT 2025` Edited by `admin` on `Wed Apr 02 18:03:46 GMT 2025`
Record UNII	AEM5TS7A9Q
Record Status	`Validated (UNII)`
Record Version

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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)-

Preferred Name

English

Code System Code Type Description

PUBCHEM

121342646

Created by admin on Wed Apr 02 18:03:46 GMT 2025 , Edited by admin on Wed Apr 02 18:03:46 GMT 2025

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FDA UNII

AEM5TS7A9Q

Created by admin on Wed Apr 02 18:03:46 GMT 2025 , Edited by admin on Wed Apr 02 18:03:46 GMT 2025

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CAS

1485528-66-2

Created by admin on Wed Apr 02 18:03:46 GMT 2025 , Edited by admin on Wed Apr 02 18:03:46 GMT 2025

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