U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H20O6
Molecular Weight 356.3692
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-CONIDENDRIN

SMILES

COC1=C(O)C=CC(=C1)[C@@H]2[C@H]3COC(=O)[C@H]3CC4=CC(OC)=C(O)C=C24

InChI

InChIKey=CAYMSCGTKZIVTN-NJSLBKSFSA-N
InChI=1S/C20H20O6/c1-24-17-6-10(3-4-15(17)21)19-12-8-16(22)18(25-2)7-11(12)5-13-14(19)9-26-20(13)23/h3-4,6-8,13-14,19,21-22H,5,9H2,1-2H3/t13-,14-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H20O6
Molecular Weight 356.3692
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 Tue Apr 01 19:59:20 GMT 2025
Edited
by admin
on Tue Apr 01 19:59:20 GMT 2025
Record UNII
L4NBA667JZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-4587
Preferred Name English
.BETA.-CONIDENDRIN
Common Name English
(3AR,4S,9AS)-3A,4,9,9A-TETRAHYDRO-6-HYDROXY-4-(4-HYDROXY-3-METHOXYPHENYL)-7-METHOXYNAPHTHO(2,3-C)FURAN-1(3H)-ONE
Common Name English
NAPHTHO(2,3-C)FURAN-1(3H)-ONE, 3A,4,9,9A-TETRAHYDRO-6-HYDROXY-4-(4-HYDROXY-3-METHOXYPHENYL)-7-METHOXY-, (3AR,4S,9AS)-
Systematic Name English
Code System Code Type Description
PUBCHEM
12303845
Created by admin on Tue Apr 01 19:59:20 GMT 2025 , Edited by admin on Tue Apr 01 19:59:20 GMT 2025
PRIMARY
CAS
5474-93-1
Created by admin on Tue Apr 01 19:59:20 GMT 2025 , Edited by admin on Tue Apr 01 19:59:20 GMT 2025
PRIMARY
FDA UNII
L4NBA667JZ
Created by admin on Tue Apr 01 19:59:20 GMT 2025 , Edited by admin on Tue Apr 01 19:59:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID20970059
Created by admin on Tue Apr 01 19:59:20 GMT 2025 , Edited by admin on Tue Apr 01 19:59:20 GMT 2025
PRIMARY
NSC
4587
Created by admin on Tue Apr 01 19:59:20 GMT 2025 , Edited by admin on Tue Apr 01 19:59:20 GMT 2025
PRIMARY