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

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H36N2O8
Molecular Weight 564.6261
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RAUNESCINE

SMILES

[H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](O)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]4([H])N(CCC5=C4NC6=C5C=CC=C6)C2

InChI

InChIKey=UGMYHMZSPHJQHL-UTYXIPFNSA-N
InChI=1S/C31H36N2O8/c1-37-24-11-16(12-25(38-2)29(24)39-3)30(35)41-23-13-17-15-33-10-9-19-18-7-5-6-8-21(18)32-27(19)22(33)14-20(17)26(28(23)34)31(36)40-4/h5-8,11-12,17,20,22-23,26,28,32,34H,9-10,13-15H2,1-4H3/t17-,20+,22-,23-,26+,28+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
RAUNESCINE
MI  
Common Name English
RAUNESCINE [MI]
Common Name English
NSC-72122
Code English
3.BETA.,20.ALPHA.-YOHIMBAN-16.BETA.-CARBOXYLIC ACID, 17.ALPHA.,18.BETA.-DIHYDROXY-, METHYL ESTER, 18-(3,4,5-TRIMETHOXYBENZOATE)
Systematic Name English
YOHIMBAN-16-CARBOXYLIC ACID, 17-HYDROXY-18-((3,4,5-TRIMETHOXYBENZOYL)OXY)-, METHYL ESTER, (3.BETA.,16.BETA.,17.ALPHA.,18.BETA.,20.ALPHA.)-
Systematic Name English
3,4,5-TRIMETHOXYBENZOYL METHYL RAUNESCATE
Systematic Name English
Code System Code Type Description
FDA UNII
0063SJ21TG
Created by admin on Sat Dec 16 09:00:08 GMT 2023 , Edited by admin on Sat Dec 16 09:00:08 GMT 2023
PRIMARY
NSC
72122
Created by admin on Sat Dec 16 09:00:08 GMT 2023 , Edited by admin on Sat Dec 16 09:00:08 GMT 2023
PRIMARY
PUBCHEM
251566
Created by admin on Sat Dec 16 09:00:08 GMT 2023 , Edited by admin on Sat Dec 16 09:00:08 GMT 2023
PRIMARY
MERCK INDEX
m450
Created by admin on Sat Dec 16 09:00:08 GMT 2023 , Edited by admin on Sat Dec 16 09:00:08 GMT 2023
PRIMARY Merck Index
CAS
117-73-7
Created by admin on Sat Dec 16 09:00:08 GMT 2023 , Edited by admin on Sat Dec 16 09:00:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID00922238
Created by admin on Sat Dec 16 09:00:08 GMT 2023 , Edited by admin on Sat Dec 16 09:00:08 GMT 2023
PRIMARY