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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H26N2O4
Molecular Weight 382.4528
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11-METHOXYDIABOLINE

SMILES

[H][C@]12C[C@@]3([H])C4=CCO[C@@H](O)[C@@]3([H])[C@]5([H])N(C(C)=O)C6=C(C=CC(OC)=C6)[C@]15CCN2C4

InChI

InChIKey=CWUAKNMXNCKRQK-ZKRAORQLSA-N
InChI=1S/C22H26N2O4/c1-12(25)24-17-9-14(27-2)3-4-16(17)22-6-7-23-11-13-5-8-28-21(26)19(20(22)24)15(13)10-18(22)23/h3-5,9,15,18-21,26H,6-8,10-11H2,1-2H3/t15-,18-,19+,20-,21+,22+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
11-METHOXYDIABOLINE
Common Name English
(17R)-1-ACETYL-19,20-DIDEHYDRO-17,18-EPOXY-11-METHOXYCURAN-17-OL
Systematic Name English
CURAN-17-OL, 1-ACETYL-19,20-DIDEHYDRO-17,18-EPOXY-11-METHOXY-, (17R)-
Systematic Name English
Code System Code Type Description
CAS
36151-16-3
Created by admin on Sat Dec 16 12:49:43 GMT 2023 , Edited by admin on Sat Dec 16 12:49:43 GMT 2023
PRIMARY
FDA UNII
FT3S93R9T8
Created by admin on Sat Dec 16 12:49:43 GMT 2023 , Edited by admin on Sat Dec 16 12:49:43 GMT 2023
PRIMARY
PUBCHEM
13994712
Created by admin on Sat Dec 16 12:49:43 GMT 2023 , Edited by admin on Sat Dec 16 12:49:43 GMT 2023
PRIMARY