ACETYLASZONALENIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H25N3O3
Molecular Weight	415.4843
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)N1[C@@H]2N3[C@H](C[C@@]2(C4=C1C=CC=C4)C(C)(C)C=C)C(=O)NC5=C(C=CC=C5)C3=O

InChI

InChIKey=TXNJQKDZOVFCAQ-XRODADMRSA-N

InChI=1S/C25H25N3O3/c1-5-24(3,4)25-14-20-21(30)26-18-12-8-6-10-16(18)22(31)28(20)23(25)27(15(2)29)19-13-9-7-11-17(19)25/h5-13,20,23H,1,14H2,2-4H3,(H,26,30)/t20-,23-,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H25N3O3
Molecular Weight	415.4843
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 13:50:34 GMT 2025` Edited by `admin` on `Wed Apr 02 13:50:34 GMT 2025`
Record UNII	7R0Z5D1T6F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LL-S 490B

Preferred Name

English

ACETYLASZONALENIN

Common Name

English

LL-S490.BETA.

Code

English

(5AS,13AR,14AS)-5-ACETYL-14A-(1,1-DIMETHYL-2-PROPEN-1-YL)-5A,13A,14,14A-TETRAHYDROINDOLO(3',2':4,5)PYRROLO(2,1-C)(1,4)BENZODIAZEPINE-7,13(5H,12H)-DIONE

Systematic Name

English

LL-S-490.BETA.

Code

English

INDOLO(3',2':4,5)PYRROLO(2,1-C)(1,4)BENZODIAZEPINE-7,13(5H,12H)-DIONE, 5-ACETYL-14A-(1,1-DIMETHYL-2-PROPEN-1-YL)-5A,13A,14,14A-TETRAHYDRO-, (5AS,13AR,14AS)-

Systematic Name

English

ACETYLASZONALENIN, (+)-

Common Name

English

Code System Code Type Description

MANUFACTURER PRODUCT INFORMATION

LL-S490.BETA.

Created by admin on Wed Apr 02 13:50:34 GMT 2025 , Edited by admin on Wed Apr 02 13:50:34 GMT 2025

PRIMARY

J. Org. Chem., 1973, 38(24), pp 4204-4205, DOI: 10.1021/jo00963a024

CAS

42230-55-7

Created by admin on Wed Apr 02 13:50:34 GMT 2025 , Edited by admin on Wed Apr 02 13:50:34 GMT 2025

PRIMARY

PUBCHEM

102032591

Created by admin on Wed Apr 02 13:50:34 GMT 2025 , Edited by admin on Wed Apr 02 13:50:34 GMT 2025

PRIMARY

FDA UNII

7R0Z5D1T6F

Created by admin on Wed Apr 02 13:50:34 GMT 2025 , Edited by admin on Wed Apr 02 13:50:34 GMT 2025

PRIMARY