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Details

Stereochemistry RACEMIC
Molecular Formula C25H34O9S
Molecular Weight 510.597
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-680573, (RS, RS)-

SMILES

CCCOC1=C(OC)C=C(C=C1S(=O)(=O)CCO)[C@H]2CC[C@@H](O2)C3=CC(OC)=C(OC)C(OC)=C3

InChI

InChIKey=WXIDMVGKJBAEFP-RTBURBONSA-N
InChI=1S/C25H34O9S/c1-6-10-33-25-22(31-4)14-17(15-23(25)35(27,28)11-9-26)19-8-7-18(34-19)16-12-20(29-2)24(32-5)21(13-16)30-3/h12-15,18-19,26H,6-11H2,1-5H3/t18-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H34O9S
Molecular Weight 510.597
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:45:19 GMT 2023
Edited
by admin
on Sat Dec 16 13:45:19 GMT 2023
Record UNII
INE8OMG1N5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-680573, (RS, RS)-
Code English
ETHANOL, 2-((3-METHOXY-2-PROPOXY-5-(TETRAHYDRO-5-(3,4,5-TRIMETHOXYPHENYL)-2-FURANYL)PHENYL)SULFONYL)-, TRANS-(±)-
Systematic Name English
ETHANOL, 2-((3-METHOXY-2-PROPOXY-5-((2R,5R)-TETRAHYDRO-5-(3,4,5-TRIMETHOXYPHENYL)-2-FURANYL)PHENYL)SULFONYL)-, REL-
Systematic Name English
L-668750
Code English
L-680573, (±)-
Code English
Code System Code Type Description
CAS
143445-03-8
Created by admin on Sat Dec 16 13:45:19 GMT 2023 , Edited by admin on Sat Dec 16 13:45:19 GMT 2023
PRIMARY
FDA UNII
INE8OMG1N5
Created by admin on Sat Dec 16 13:45:19 GMT 2023 , Edited by admin on Sat Dec 16 13:45:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID00931885
Created by admin on Sat Dec 16 13:45:19 GMT 2023 , Edited by admin on Sat Dec 16 13:45:19 GMT 2023
PRIMARY
PUBCHEM
178717
Created by admin on Sat Dec 16 13:45:19 GMT 2023 , Edited by admin on Sat Dec 16 13:45:19 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE