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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H32N2O6
Molecular Weight 456.5314
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 7-ACETOXYMITRAGYNINE

SMILES

[H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@@]3(OC(C)=O)C2=NC4=C3C(OC)=CC=C4)C(=C/OC)\C(=O)OC

InChI

InChIKey=RJTCCQKAKCMBTR-XBULZMPJSA-N
InChI=1S/C25H32N2O6/c1-6-16-13-27-11-10-25(33-15(2)28)22-19(8-7-9-21(22)31-4)26-23(25)20(27)12-17(16)18(14-30-3)24(29)32-5/h7-9,14,16-17,20H,6,10-13H2,1-5H3/b18-14+/t16-,17+,20+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H32N2O6
Molecular Weight 456.5314
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:53:39 UTC 2023
Edited
by admin
on Sat Dec 16 17:53:39 UTC 2023
Record UNII
KJD0WGJ0NY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-ACETOXYMITRAGYNINE
Common Name English
O-ACETYLMITRAGYNINE HYDROXYINDOLENINE
Common Name English
INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 7A-(ACETYLOXY)-3-ETHYL-1,2,3,4,6,7,7A,12B-OCTAHYDRO-8-METHOXY-.ALPHA.-(METHOXYMETHYLENE)-, METHYL ESTER, (.ALPHA.E,2S,3S,7AS,12BS)-
Systematic Name English
Code System Code Type Description
FDA UNII
KJD0WGJ0NY
Created by admin on Sat Dec 16 17:53:39 UTC 2023 , Edited by admin on Sat Dec 16 17:53:39 UTC 2023
PRIMARY
CAS
174418-81-6
Created by admin on Sat Dec 16 17:53:39 UTC 2023 , Edited by admin on Sat Dec 16 17:53:39 UTC 2023
PRIMARY
PUBCHEM
11015924
Created by admin on Sat Dec 16 17:53:39 UTC 2023 , Edited by admin on Sat Dec 16 17:53:39 UTC 2023
PRIMARY
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