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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H18O6
Molecular Weight 342.3426
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATROVENETIN

SMILES

C[C@H]1OC2=C(C(O)=C3C(O)=C(O)C(=O)C4=C3C2=C(C)C=C4O)C1(C)C

InChI

InChIKey=LPHKSTXIALHGQT-SSDOTTSWSA-N
InChI=1S/C19H18O6/c1-6-5-8(20)10-11-9(6)18-13(19(3,4)7(2)25-18)14(21)12(11)16(23)17(24)15(10)22/h5,7,20-21,23-24H,1-4H3/t7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H18O6
Molecular Weight 342.3426
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 11:49:25 GMT 2023
Edited
by admin
on Sat Dec 16 11:49:25 GMT 2023
Record UNII
51L66L2L4F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ATROVENETIN
Common Name English
(9R)-8,9-DIHYDRO-4,5,6,7-TETRAHYDROXY-1,8,8,9-TETRAMETHYL-3H-PHENALENO(1,2-B)FURAN-3-ONE
Systematic Name English
3H-PHENALENO(1,2-B)FURAN-3-ONE, 8,9-DIHYDRO-4,5,6,7-TETRAHYDROXY-1,8,8,9-TETRAMETHYL-, (9R)-
Systematic Name English
ATROVENETIN, (R)-
Common Name English
5-DEOXYNORHERQUEINONE
Common Name English
DEHYDROXY-5-NORHERQUEINONE
Common Name English
ATROVENETIN, (+)-
Common Name English
Code System Code Type Description
PUBCHEM
137321670
Created by admin on Sat Dec 16 11:49:25 GMT 2023 , Edited by admin on Sat Dec 16 11:49:25 GMT 2023
PRIMARY
CAS
20887-72-3
Created by admin on Sat Dec 16 11:49:25 GMT 2023 , Edited by admin on Sat Dec 16 11:49:25 GMT 2023
ALTERNATIVE
CAS
2582-86-7
Created by admin on Sat Dec 16 11:49:25 GMT 2023 , Edited by admin on Sat Dec 16 11:49:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID80948719
Created by admin on Sat Dec 16 11:49:25 GMT 2023 , Edited by admin on Sat Dec 16 11:49:25 GMT 2023
PRIMARY
CAS
22185-93-9
Created by admin on Sat Dec 16 11:49:25 GMT 2023 , Edited by admin on Sat Dec 16 11:49:25 GMT 2023
ALTERNATIVE
CAS
27778-63-8
Created by admin on Sat Dec 16 11:49:25 GMT 2023 , Edited by admin on Sat Dec 16 11:49:25 GMT 2023
ALTERNATIVE
FDA UNII
51L66L2L4F
Created by admin on Sat Dec 16 11:49:25 GMT 2023 , Edited by admin on Sat Dec 16 11:49:25 GMT 2023
PRIMARY