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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H18O7
Molecular Weight 322.3099
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-O-METHYLDIHYDROFUSARUBIN A

SMILES

COC1=C(O)C2=C(C(=O)[C@@H]3CO[C@](C)(C[C@H]3C2=O)OC)C(O)=C1

InChI

InChIKey=BKNKCWICQIBONA-MDZKRCCYSA-N
InChI=1S/C16H18O7/c1-16(22-3)5-7-8(6-23-16)14(19)11-9(17)4-10(21-2)15(20)12(11)13(7)18/h4,7-8,17,20H,5-6H2,1-3H3/t7-,8-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H18O7
Molecular Weight 322.3099
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:51:10 GMT 2025
Edited
by admin
on Mon Mar 31 22:51:10 GMT 2025
Record UNII
A5K5C92RFX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-O-METHYLDIHYDROFUSARUBIN A
Common Name English
1H-NAPHTHO(2,3-C)PYRAN-5,10-DIONE, 3,4,4A,10A-TETRAHYDRO-6,9-DIHYDROXY-3,7-DIMETHOXY-3-METHYL-, (3.ALPHA.,4A.BETA.,10A.ALPHA.)-
Preferred Name English
1H-NAPHTHO(2,3-C)PYRAN-5,10-DIONE, 3,4,4A,10A-TETRAHYDRO-6,9-DIHYDROXY-3,7-DIMETHOXY-3-METHYL-, (3R,4AR,10AS)-REL-
Systematic Name English
REL-(3R,4AR,10AS)-3,4,4A,10A-TETRAHYDRO-6,9-DIHYDROXY-3,7-DIMETHOXY-3-METHYL-1H-NAPHTHO(2,3-C)PYRAN-5,10-DIONE
Systematic Name English
Code System Code Type Description
FDA UNII
A5K5C92RFX
Created by admin on Mon Mar 31 22:51:10 GMT 2025 , Edited by admin on Mon Mar 31 22:51:10 GMT 2025
PRIMARY
PUBCHEM
102190218
Created by admin on Mon Mar 31 22:51:10 GMT 2025 , Edited by admin on Mon Mar 31 22:51:10 GMT 2025
PRIMARY
CAS
87667-45-6
Created by admin on Mon Mar 31 22:51:10 GMT 2025 , Edited by admin on Mon Mar 31 22:51:10 GMT 2025
PRIMARY