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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H30N2O4
Molecular Weight 398.4953
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SPECIOGYNINE

SMILES

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

InChI

InChIKey=LELBFTMXCIIKKX-CYSPOEIOSA-N
InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16-,19-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SPECIOGYNINE
Common Name English
(+)-SPECIOGYNINE
Common Name English
17,18-SECOYOHIMBAN-16-CARBOXYLIC ACID, 16,17-DIDEHYDRO-9,17-DIMETHOXY-, METHYL ESTER, (E)-
Systematic Name English
INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-8-METHOXY-.ALPHA.-(METHOXYMETHYLENE)-, METHYL ESTER, (.ALPHA.E,2S,3R,12BS)-
Systematic Name English
Code System Code Type Description
FDA UNII
BB185OF16A
Created by admin on Sat Dec 16 17:39:32 GMT 2023 , Edited by admin on Sat Dec 16 17:39:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID901318037
Created by admin on Sat Dec 16 17:39:32 GMT 2023 , Edited by admin on Sat Dec 16 17:39:32 GMT 2023
PRIMARY
PUBCHEM
15560577
Created by admin on Sat Dec 16 17:39:32 GMT 2023 , Edited by admin on Sat Dec 16 17:39:32 GMT 2023
PRIMARY
CAS
4697-67-0
Created by admin on Sat Dec 16 17:39:32 GMT 2023 , Edited by admin on Sat Dec 16 17:39:32 GMT 2023
PRIMARY