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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H20O7
Molecular Weight 372.3686
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HERQUEINONE

SMILES

COC1=C(O)C2=C3C(=C4O[C@H](C)C(C)(C)[C@@]4(O)C(=O)C3=C1O)C(C)=CC2=O

InChI

InChIKey=PKJJEYCUTMFGJW-ZPWHCFADSA-N
InChI=1S/C20H20O7/c1-7-6-9(21)11-12-10(7)18-20(25,19(3,4)8(2)27-18)17(24)13(12)15(23)16(26-5)14(11)22/h6,8,22-23,25H,1-5H3/t8-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H20O7
Molecular Weight 372.3686
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 06:50:19 GMT 2023
Edited
by admin
on Sat Dec 16 06:50:19 GMT 2023
Record UNII
J0WM1VFJ94
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HERQUEINONE
MI  
Common Name English
3H-PHENALENO(1,2-B)FURAN-3,7(7AH)-DIONE, 8,9-DIHYDRO-4,6,7A-TRIHYDROXY-5-METHOXY-1,8,8,9-TETRAMETHYL-, (7AS,9R)-
Common Name English
3H-PHENALENO(1,2-B)FURAN-3,7(7AH)-DIONE, 8,9-DIHYDRO-4,6,7A-TRIHYDROXY-5-METHOXY-1,8,8,9-TETRAMETHYL-, (7AS-CIS)-
Common Name English
HERQUIENONE
Common Name English
HERQUEINONE [MI]
Common Name English
3H-PHENALENO(1,2-B)FURAN-3,7(7AH)-DIONE, 8,9-DIHYDRO-4,6,7A-TRIHYDROXY-5-METHOXY-1,8,8,9-TETRAMETHYL-
Common Name English
Code System Code Type Description
PUBCHEM
168617
Created by admin on Sat Dec 16 06:50:19 GMT 2023 , Edited by admin on Sat Dec 16 06:50:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID70949674
Created by admin on Sat Dec 16 06:50:19 GMT 2023 , Edited by admin on Sat Dec 16 06:50:19 GMT 2023
PRIMARY
CAS
26871-30-7
Created by admin on Sat Dec 16 06:50:19 GMT 2023 , Edited by admin on Sat Dec 16 06:50:19 GMT 2023
PRIMARY
MERCK INDEX
m5973
Created by admin on Sat Dec 16 06:50:19 GMT 2023 , Edited by admin on Sat Dec 16 06:50:19 GMT 2023
PRIMARY Merck Index
FDA UNII
J0WM1VFJ94
Created by admin on Sat Dec 16 06:50:19 GMT 2023 , Edited by admin on Sat Dec 16 06:50:19 GMT 2023
PRIMARY