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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

[H][C@@]12C[C@@H]([C@H](CC)CN1CCC3=C2NC4=C3C(O)=CC=C4)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

Molecular Formula C22H28N2O4
Molecular Weight 384.4687
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:21:05 GMT 2023
Edited
by admin
on Sat Dec 16 18:21:05 GMT 2023
Record UNII
RNE3SSW79R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-O-DEMETHYLMITRAGYNINE
Common 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
(-)-9-HYDROXYCORYNANTHEIDINE
Common Name English
Code System Code Type Description
CAS
425623-55-8
Created by admin on Sat Dec 16 18:21:06 GMT 2023 , Edited by admin on Sat Dec 16 18:21:06 GMT 2023
PRIMARY
PUBCHEM
10927114
Created by admin on Sat Dec 16 18:21:06 GMT 2023 , Edited by admin on Sat Dec 16 18:21:06 GMT 2023
PRIMARY
FDA UNII
RNE3SSW79R
Created by admin on Sat Dec 16 18:21:06 GMT 2023 , Edited by admin on Sat Dec 16 18:21:06 GMT 2023
PRIMARY
Related Record Type Details
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