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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H28O15
Molecular Weight 568.4808
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of POLYGALAXANTHONE III

SMILES

COC1=C(O)C=C2OC3=CC(O)=C([C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C(O)=C3C(=O)C2=C1

InChI

InChIKey=LLJUCXMVRPAONX-AYATVRNWSA-N
InChI=1S/C25H28O15/c1-36-12-2-8-11(3-9(12)27)39-13-4-10(28)15(19(31)16(13)17(8)29)22-21(33)20(32)18(30)14(40-22)5-37-24-23(34)25(35,6-26)7-38-24/h2-4,14,18,20-24,26-28,30-35H,5-7H2,1H3/t14-,18-,20+,21-,22+,23+,24-,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H28O15
Molecular Weight 568.4808
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:58:56 GMT 2023
Edited
by admin
on Sat Dec 16 14:58:56 GMT 2023
Record UNII
SY43GUR3DE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
POLYGALAXANTHONE III
Common Name English
9H-XANTHEN-9-ONE, 2-(6-O-D-APIO-.BETA.-D-FURANOSYL-.BETA.-D-GLUCOPYRANOSYL)-1,3,6-TRIHYDROXY-7-METHOXY-
Systematic Name English
2-(6-O-D-APIO-.BETA.-D-FURANOSYL-.BETA.-D-GLUCOPYRANOSYL)-1,3,6-TRIHYDROXY-7-METHOXY-9H-XANTHEN-9-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
SY43GUR3DE
Created by admin on Sat Dec 16 14:58:56 GMT 2023 , Edited by admin on Sat Dec 16 14:58:56 GMT 2023
PRIMARY
CAS
162857-78-5
Created by admin on Sat Dec 16 14:58:56 GMT 2023 , Edited by admin on Sat Dec 16 14:58:56 GMT 2023
PRIMARY
PUBCHEM
11169063
Created by admin on Sat Dec 16 14:58:56 GMT 2023 , Edited by admin on Sat Dec 16 14:58:56 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY