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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H28O9
Molecular Weight 520.5272
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SKB-209670

SMILES

CCCOC1=CC2=C(C=C1)[C@@H]([C@H]([C@@H]2C3=C(OCC(O)=O)C=C(OC)C=C3)C(O)=O)C4=CC5=C(OCO5)C=C4

InChI

InChIKey=UUAVCCWBNUITBB-UPRLRBBYSA-N
InChI=1S/C29H28O9/c1-3-10-35-18-6-7-19-21(12-18)27(20-8-5-17(34-2)13-23(20)36-14-25(30)31)28(29(32)33)26(19)16-4-9-22-24(11-16)38-15-37-22/h4-9,11-13,26-28H,3,10,14-15H2,1-2H3,(H,30,31)(H,32,33)/t26-,27+,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H28O9
Molecular Weight 520.5272
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:46:46 GMT 2023
Edited
by admin
on Fri Dec 15 15:46:46 GMT 2023
Record UNII
0I32BCL40Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SKB-209670
Common Name English
1H-INDENE-2-CARBOXYLIC ACID, 1-(1,3-BENZODIOXOL-5-YL)-3-(2-(CARBOXYMETHOXY)-4-METHOXYPHENYL)-2,3-DIHYDRO-5-PROPOXY-, (1S,2R,3S)-
Common Name English
SB-209670
Common Name English
SKB 209670
Common Name English
Code System Code Type Description
PUBCHEM
108002
Created by admin on Fri Dec 15 15:46:46 GMT 2023 , Edited by admin on Fri Dec 15 15:46:46 GMT 2023
PRIMARY
FDA UNII
0I32BCL40Z
Created by admin on Fri Dec 15 15:46:46 GMT 2023 , Edited by admin on Fri Dec 15 15:46:46 GMT 2023
PRIMARY
MESH
C087551
Created by admin on Fri Dec 15 15:46:46 GMT 2023 , Edited by admin on Fri Dec 15 15:46:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID00935762
Created by admin on Fri Dec 15 15:46:46 GMT 2023 , Edited by admin on Fri Dec 15 15:46:46 GMT 2023
PRIMARY
CAS
157659-79-5
Created by admin on Fri Dec 15 15:46:46 GMT 2023 , Edited by admin on Fri Dec 15 15:46:46 GMT 2023
PRIMARY
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