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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H20O8
Molecular Weight 400.3787
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-DEOXYDOXORUBICINOLONE

SMILES

COC1=C2C(=O)C3=C(C(=O)C2=CC=C1)C(O)=C4C[C@](O)(CCC4=C3O)[C@@H](O)CO

InChI

InChIKey=IGJIPNOEJDYNRR-YEJXKQKISA-N
InChI=1S/C21H20O8/c1-29-12-4-2-3-10-14(12)20(27)16-15(18(10)25)19(26)11-7-21(28,13(23)8-22)6-5-9(11)17(16)24/h2-4,13,22-24,26,28H,5-8H2,1H3/t13-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H20O8
Molecular Weight 400.3787
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 16:18:17 GMT 2023
Edited
by admin
on Sat Dec 16 16:18:17 GMT 2023
Record UNII
68V3NJ6MPZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-DEOXYDOXORUBICINOLONE
Common Name English
7-DEOXYEPIRUBICINOL AGLYCONE
Common Name English
ADRIAMYCINOL 7-DEOXYAGLYCONE
Common Name English
DEOXYADRIAMYCINOL AGLYCONE
Common Name English
5,12-NAPHTHACENEDIONE, 8-((1S)-1,2-DIHYDROXYETHYL)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-, (8R)-
Systematic Name English
7-DEOXYDOXORUBICINOL AGLYCONE
Common Name English
(8R)-8-((1S)-1,2-DIHYDROXYETHYL)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-5,12-NAPHTHACENEDIONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00191260
Created by admin on Sat Dec 16 16:18:17 GMT 2023 , Edited by admin on Sat Dec 16 16:18:17 GMT 2023
PRIMARY
FDA UNII
68V3NJ6MPZ
Created by admin on Sat Dec 16 16:18:17 GMT 2023 , Edited by admin on Sat Dec 16 16:18:17 GMT 2023
PRIMARY
CAS
37818-13-6
Created by admin on Sat Dec 16 16:18:17 GMT 2023 , Edited by admin on Sat Dec 16 16:18:17 GMT 2023
PRIMARY
PUBCHEM
161952
Created by admin on Sat Dec 16 16:18:17 GMT 2023 , Edited by admin on Sat Dec 16 16:18:17 GMT 2023
PRIMARY
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