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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H30O16
Molecular Weight 670.571
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENOLPHTHALEIN DIGLUCURONOSIDE

SMILES

O[C@H]1[C@H](OC2=CC=C(C=C2)C3(OC(=O)C4=CC=CC=C34)C5=CC=C(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)C=C5)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=KSSXNJXUWUGBFP-MJMXWKEJSA-N
InChI=1S/C32H30O16/c33-19-21(35)25(27(39)40)46-30(23(19)37)44-15-9-5-13(6-10-15)32(18-4-2-1-3-17(18)29(43)48-32)14-7-11-16(12-8-14)45-31-24(38)20(34)22(36)26(47-31)28(41)42/h1-12,19-26,30-31,33-38H,(H,39,40)(H,41,42)/t19-,20-,21-,22-,23+,24+,25-,26-,30+,31+/m0/s1

HIDE SMILES / InChI

Molecular Formula C32H30O16
Molecular Weight 670.571
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:07:25 GMT 2025
Edited
by admin
on Mon Mar 31 18:07:25 GMT 2025
Record UNII
094EWY68HG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3-OXO-1(3H)-ISOBENZOFURANYLIDENE)DI-4,1-PHENYLENE BIS-
Preferred Name English
PHENOLPHTHALEIN DIGLUCURONOSIDE
Common Name English
Code System Code Type Description
PUBCHEM
71587311
Created by admin on Mon Mar 31 18:07:25 GMT 2025 , Edited by admin on Mon Mar 31 18:07:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID50233785
Created by admin on Mon Mar 31 18:07:25 GMT 2025 , Edited by admin on Mon Mar 31 18:07:25 GMT 2025
PRIMARY
FDA UNII
094EWY68HG
Created by admin on Mon Mar 31 18:07:25 GMT 2025 , Edited by admin on Mon Mar 31 18:07:25 GMT 2025
PRIMARY
CAS
84755-69-1
Created by admin on Mon Mar 31 18:07:25 GMT 2025 , Edited by admin on Mon Mar 31 18:07:25 GMT 2025
PRIMARY