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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H18O5
Molecular Weight 338.3539
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-(1,3-Benzodioxol-5-yl)-8,9-dihydro-7,8-dimethylnaphtho[1,2-d]-1,3-dioxol-6(7H)-one, (7S,8R,9S)-

SMILES

C[C@H]1[C@H](C)C(=O)C2=C([C@@H]1C3=CC=C4OCOC4=C3)C5=C(OCO5)C=C2

InChI

InChIKey=ZTOORMQTJNUZOQ-DINDLPBHSA-N
InChI=1S/C20H18O5/c1-10-11(2)19(21)13-4-6-15-20(25-9-23-15)18(13)17(10)12-3-5-14-16(7-12)24-8-22-14/h3-7,10-11,17H,8-9H2,1-2H3/t10-,11-,17-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(7S,8R,9S)-9-(1,3-Benzodioxol-5-yl)-8,9-dihydro-7,8-dimethylnaphtho[1,2-d]-1,3-dioxol-6(7H)-one
Preferred Name English
9-(1,3-Benzodioxol-5-yl)-8,9-dihydro-7,8-dimethylnaphtho[1,2-d]-1,3-dioxol-6(7H)-one, (7S,8R,9S)-
Systematic Name English
Naphtho[1,2-d]-1,3-dioxol-6(7H)-one, 9-(1,3-benzodioxol-5-yl)-8,9-dihydro-7,8-dimethyl-, (7S,8R,9S)-
Systematic Name English
Code System Code Type Description
CAS
329365-50-6
Created by admin on Wed Apr 02 17:37:51 GMT 2025 , Edited by admin on Wed Apr 02 17:37:51 GMT 2025
PRIMARY
FDA UNII
VZU5TKC74T
Created by admin on Wed Apr 02 17:37:51 GMT 2025 , Edited by admin on Wed Apr 02 17:37:51 GMT 2025
PRIMARY
PUBCHEM
3084590
Created by admin on Wed Apr 02 17:37:51 GMT 2025 , Edited by admin on Wed Apr 02 17:37:51 GMT 2025
PRIMARY