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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H28O8
Molecular Weight 444.4743
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEOGMELINOL ACETATE

SMILES

[H][C@]12CO[C@H](C3=CC=C(OC)C(OC)=C3)[C@]1(CO[C@@H]2C4=CC=C(OC)C(OC)=C4)OC(C)=O

InChI

InChIKey=WPXRPITUDSOLDU-SFUZCSOBSA-N
InChI=1S/C24H28O8/c1-14(25)32-24-13-31-22(15-6-8-18(26-2)20(10-15)28-4)17(24)12-30-23(24)16-7-9-19(27-3)21(11-16)29-5/h6-11,17,22-23H,12-13H2,1-5H3/t17-,22-,23-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H28O8
Molecular Weight 444.4743
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:19:23 GMT 2023
Edited
by admin
on Sat Dec 16 09:19:23 GMT 2023
Record UNII
UT269D6L6E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NEOGMELINOL ACETATE
Common Name English
1H,3H-FURO(3,4-C)FURAN-3A(4H)-OL, 1,4-BIS(3,4-DIMETHOXYPHENYL)DIHYDRO-, ACETATE, (1S-(1.ALPHA.,3A.ALPHA.,4.ALPHA.,6A.ALPHA.))-
Systematic Name English
NEOGMELINOL, ACETATE
Common Name English
Code System Code Type Description
FDA UNII
UT269D6L6E
Created by admin on Sat Dec 16 09:19:23 GMT 2023 , Edited by admin on Sat Dec 16 09:19:23 GMT 2023
PRIMARY
PUBCHEM
73425467
Created by admin on Sat Dec 16 09:19:23 GMT 2023 , Edited by admin on Sat Dec 16 09:19:23 GMT 2023
PRIMARY
CAS
81426-16-6
Created by admin on Sat Dec 16 09:19:23 GMT 2023 , Edited by admin on Sat Dec 16 09:19:23 GMT 2023
PRIMARY