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Details

Stereochemistry RACEMIC
Molecular Formula C19H24O7
Molecular Weight 364.3897
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-HYDROXY-4-(3-HYDROXYPROPYL)PHENOXY)-1-(4-HYDROXY-3-METHOXYPHENYL)-1,3-PROPANEDIOL, (S,S)-(±)-

SMILES

COC1=C(O)C=CC(=C1)[C@H](O)[C@H](CO)OC2=C(O)C=C(CCCO)C=C2

InChI

InChIKey=KMYQEVOSRSCASE-OALUTQOASA-N
InChI=1S/C19H24O7/c1-25-17-10-13(5-6-14(17)22)19(24)18(11-21)26-16-7-4-12(3-2-8-20)9-15(16)23/h4-7,9-10,18-24H,2-3,8,11H2,1H3/t18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H24O7
Molecular Weight 364.3897
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 11:20:41 GMT 2023
Edited
by admin
on Sat Dec 16 11:20:41 GMT 2023
Record UNII
Q5FGX112E5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2-HYDROXY-4-(3-HYDROXYPROPYL)PHENOXY)-1-(4-HYDROXY-3-METHOXYPHENYL)-1,3-PROPANEDIOL, (S,S)-(±)-
Systematic Name English
1,3-PROPANEDIOL, 2-(2-HYDROXY-4-(3-HYDROXYPROPYL)PHENOXY)-1-(4-HYDROXY-3-METHOXYPHENYL)-, (1R,2R)-REL-
Systematic Name English
3,3',4,7,9,9'HEXAHYDROXY-8,4-OXYNEOLIGNAN
Systematic Name English
2-(2-HYDROXY-4-(3-HYDROXYPROPYL)PHENOXY)-1-(4-HYDROXY-3-METHOXYPHENYL)-1,3-PROPANEDIOL
Systematic Name English
3,3',4,7,9,9'HEXAHYDROXY-8,4-OXYNEOLIGNAN (7R*,8S*) FORM 3-METHYL ETHER
Common Name English
Code System Code Type Description
CAS
57701-87-8
Created by admin on Sat Dec 16 11:20:41 GMT 2023 , Edited by admin on Sat Dec 16 11:20:41 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
102598107
Created by admin on Sat Dec 16 11:20:41 GMT 2023 , Edited by admin on Sat Dec 16 11:20:41 GMT 2023
PRIMARY
CAS
62137-27-3
Created by admin on Sat Dec 16 11:20:41 GMT 2023 , Edited by admin on Sat Dec 16 11:20:41 GMT 2023
PRIMARY
FDA UNII
Q5FGX112E5
Created by admin on Sat Dec 16 11:20:41 GMT 2023 , Edited by admin on Sat Dec 16 11:20:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID001115357
Created by admin on Sat Dec 16 11:20:41 GMT 2023 , Edited by admin on Sat Dec 16 11:20:41 GMT 2023
PRIMARY