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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28N2O4
Molecular Weight 384.4687
Optical Activity ( - )
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 9-O-DEMETHYLMITRAGYNINE

SMILES

CC[C@@H]1CN2CCC3=C(NC4=C3C(O)=CC=C4)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC

InChI

InChIKey=IIRZCWUQUBSIPF-XZNUVMSOSA-N
InChI=1S/C22H28N2O4/c1-4-13-11-24-9-8-14-20-17(6-5-7-19(20)25)23-21(14)18(24)10-15(13)16(12-27-2)22(26)28-3/h5-7,12-13,15,18,23,25H,4,8-11H2,1-3H3/b16-12+/t13-,15+,18+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
9-O-DEMETHYLMITRAGYNINE
Common Name English
(-)-9-HYDROXYCORYNANTHEIDINE
Preferred Name English
INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-8-HYDROXY-.ALPHA.-(METHOXYMETHYLENE)-, METHYL ESTER, (.ALPHA.E,2S,3S,12BS)-
Common Name English
Code System Code Type Description
CAS
425623-55-8
Created by admin on Wed Apr 02 10:48:55 GMT 2025 , Edited by admin on Wed Apr 02 10:48:55 GMT 2025
PRIMARY
PUBCHEM
10927114
Created by admin on Wed Apr 02 10:48:55 GMT 2025 , Edited by admin on Wed Apr 02 10:48:55 GMT 2025
PRIMARY
FDA UNII
RNE3SSW79R
Created by admin on Wed Apr 02 10:48:55 GMT 2025 , Edited by admin on Wed Apr 02 10:48:55 GMT 2025
PRIMARY