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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H20O11
Molecular Weight 436.3662
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Swertianolin

SMILES

COC1=CC(O)=C2C(=O)C3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=CC(O)=C3OC2=C1

InChI

InChIKey=XMVBNLMKPMPWAX-DIKOWXHZSA-N
InChI=1S/C20H20O11/c1-28-7-4-9(23)13-11(5-7)29-19-8(22)2-3-10(14(19)16(13)25)30-20-18(27)17(26)15(24)12(6-21)31-20/h2-5,12,15,17-18,20-24,26-27H,6H2,1H3/t12-,15-,17+,18-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H20O11
Molecular Weight 436.3662
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:23:29 GMT 2023
Edited
by admin
on Sat Dec 16 08:23:29 GMT 2023
Record UNII
4H4L9C479F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Swertianolin
Common Name English
9H-Xanthen-9-one, 8-(β-D-glucopyranosyloxy)-1,5-dihydroxy-3-methoxy-
Systematic Name English
8-(β-D-Glucopyranosyloxy)-1,5-dihydroxy-3-methoxy-9H-xanthen-9-one
Systematic Name English
Bellidifolin-8-O-glucoside
Common Name English
Bellidifolin 8-O-β-D-glucopyranoside
Common Name English
Code System Code Type Description
CAS
23445-00-3
Created by admin on Sat Dec 16 08:23:29 GMT 2023 , Edited by admin on Sat Dec 16 08:23:29 GMT 2023
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FDA UNII
4H4L9C479F
Created by admin on Sat Dec 16 08:23:29 GMT 2023 , Edited by admin on Sat Dec 16 08:23:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID90946100
Created by admin on Sat Dec 16 08:23:29 GMT 2023 , Edited by admin on Sat Dec 16 08:23:29 GMT 2023
PRIMARY
CHEBI
65478
Created by admin on Sat Dec 16 08:23:29 GMT 2023 , Edited by admin on Sat Dec 16 08:23:29 GMT 2023
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PUBCHEM
5281662
Created by admin on Sat Dec 16 08:23:29 GMT 2023 , Edited by admin on Sat Dec 16 08:23:29 GMT 2023
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