ISOECHINULIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H29N3O2
Molecular Weight	391.506
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1NC(=O)\C(NC1=O)=C\C2=C(NC3=C2C=C(CC=C(C)C)C=C3)C(C)(C)C=C

InChI

InChIKey=ZHKHUDVCZTVZPU-HYTQYMIGSA-N

InChI=1S/C24H29N3O2/c1-7-24(5,6)21-18(13-20-23(29)25-15(4)22(28)27-20)17-12-16(9-8-14(2)3)10-11-19(17)26-21/h7-8,10-13,15,26H,1,9H2,2-6H3,(H,25,29)(H,27,28)/b20-13-/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H29N3O2
Molecular Weight	391.506
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:40:35 GMT 2025` Edited by `admin` on `Tue Apr 01 17:40:35 GMT 2025`
Record UNII	7FXA0TK91G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOECHINULIN A

Common Name

English

(-)-ISOECHINULIN A

Preferred Name

English

(3Z,6S)-3-((2-(1,1-DIMETHYL-2-PROPEN-1-YL)-5-(3-METHYL-2-BUTEN-1-YL)-1H-INDOL-3-YL)METHYLENE)-6-METHYL-2,5-PIPERAZINEDIONE

Systematic Name

English

2,5-PIPERAZINEDIONE, 3-((2-(1,1-DIMETHYL-2-PROPEN-1-YL)-5-(3-METHYL-2-BUTEN-1-YL)-1H-INDOL-3-YL)METHYLENE)-6-METHYL-, (3Z,6S)-

Systematic Name

English

Code System Code Type Description

CAS

60422-87-9

Created by admin on Tue Apr 01 17:40:35 GMT 2025 , Edited by admin on Tue Apr 01 17:40:35 GMT 2025

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FDA UNII

7FXA0TK91G

Created by admin on Tue Apr 01 17:40:35 GMT 2025 , Edited by admin on Tue Apr 01 17:40:35 GMT 2025

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PUBCHEM

44445553

Created by admin on Tue Apr 01 17:40:35 GMT 2025 , Edited by admin on Tue Apr 01 17:40:35 GMT 2025

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