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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H18O9
Molecular Weight 402.3515
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VERSICONOL ACETATE

SMILES

CC(=O)OCC[C@H](CO)C1=C(O)C2=C(C=C1O)C(=O)C3=CC(O)=CC(O)=C3C2=O

InChI

InChIKey=BWYUKBCRHDFWFF-SECBINFHSA-N
InChI=1S/C20H18O9/c1-8(22)29-3-2-9(7-21)15-14(25)6-12-17(19(15)27)20(28)16-11(18(12)26)4-10(23)5-13(16)24/h4-6,9,21,23-25,27H,2-3,7H2,1H3/t9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H18O9
Molecular Weight 402.3515
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:16:25 GMT 2023
Edited
by admin
on Sat Dec 16 08:16:25 GMT 2023
Record UNII
K9TGA2Z1WA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VERSICONOL ACETATE
Common Name English
VERSICONOL ACETATE, (-)-
Common Name English
9,10-ANTHRACENEDIONE, 2-((1S)-3-(ACETYLOXY)-1-(HYDROXYMETHYL)PROPYL)-1,3,6,8-TETRAHYDROXY-
Systematic Name English
9,10-ANTHRACENEDIONE, 2-(3-(ACETYLOXY)-1-(HYDROXYMETHYL)PROPYL)-1,3,6,8-TETRAHYDROXY-, (S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20991284
Created by admin on Sat Dec 16 08:16:25 GMT 2023 , Edited by admin on Sat Dec 16 08:16:25 GMT 2023
PRIMARY
PUBCHEM
71296147
Created by admin on Sat Dec 16 08:16:25 GMT 2023 , Edited by admin on Sat Dec 16 08:16:25 GMT 2023
PRIMARY
CHEBI
71636
Created by admin on Sat Dec 16 08:16:25 GMT 2023 , Edited by admin on Sat Dec 16 08:16:25 GMT 2023
PRIMARY
CAS
70979-72-5
Created by admin on Sat Dec 16 08:16:25 GMT 2023 , Edited by admin on Sat Dec 16 08:16:25 GMT 2023
PRIMARY
FDA UNII
K9TGA2Z1WA
Created by admin on Sat Dec 16 08:16:25 GMT 2023 , Edited by admin on Sat Dec 16 08:16:25 GMT 2023
PRIMARY