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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H30N2O5
Molecular Weight 414.4947
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MITRAGYNINE PSEUDOINDOXYL

SMILES

[H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]23NC4=C(C3=O)C(OC)=CC=C4)C(=C/OC)\C(=O)OC

InChI

InChIKey=BAEJBRCYKACTAA-WGUOAFTMSA-N
InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H30N2O5
Molecular Weight 414.4947
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:58:26 GMT 2023
Edited
by admin
on Sat Dec 16 18:58:26 GMT 2023
Record UNII
BKA67VHE3B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MITRAGYNINE PSEUDOINDOXYL
Common Name English
SPIRO(2H-INDOLE-2,1'(5'H)-INDOLIZINE)-7'-ACETIC ACID, 6'-ETHYL-1,2',3,3',6',7',8',8'A-OCTAHYDRO-4-METHOXY-.ALPHA.-(METHOXYMETHYLENE)-3-OXO-, METHYL ESTER, (.ALPHA.E,1'S,6'S,7'S,8'AS)-
Systematic Name English
Code System Code Type Description
PUBCHEM
44301701
Created by admin on Sat Dec 16 18:58:27 GMT 2023 , Edited by admin on Sat Dec 16 18:58:27 GMT 2023
PRIMARY
FDA UNII
BKA67VHE3B
Created by admin on Sat Dec 16 18:58:27 GMT 2023 , Edited by admin on Sat Dec 16 18:58:27 GMT 2023
PRIMARY
CAS
2035457-43-1
Created by admin on Sat Dec 16 18:58:27 GMT 2023 , Edited by admin on Sat Dec 16 18:58:27 GMT 2023
PRIMARY
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