2-((3.BETA.,5R,6.BETA.)-3-(ACETYLOXY)CHOLESTANO(5,6-B)AZIRIN-1'(6H)-YL)-1H-ISOINDOLE-1,3(2H)-DIONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H52N2O4
Molecular Weight	588.8198
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-((3.BETA.,5R,6.BETA.)-3-(ACETYLOXY)CHOLESTANO(5,6-B)AZIRIN-1'(6H)-YL)-1H-ISOINDOLE-1,3(2H)-DIONE

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@H]4N(N5C(=O)C6=C(C=CC=C6)C5=O)[C@@]47C[C@H](CC[C@]7(C)[C@@]3([H])CC[C@]12C)OC(C)=O)[C@H](C)CCCC(C)C

InChI

InChIKey=YPVNQSYTFZVXIY-BENLHTCUSA-N

InChI=1S/C37H52N2O4/c1-22(2)10-9-11-23(3)29-14-15-30-28-20-32-37(39(32)38-33(41)26-12-7-8-13-27(26)34(38)42)21-25(43-24(4)40)16-19-36(37,6)31(28)17-18-35(29,30)5/h7-8,12-13,22-23,25,28-32H,9-11,14-21H2,1-6H3/t23-,25+,28+,29-,30+,31+,32+,35-,36-,37+,39?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C37H52N2O4
Molecular Weight	588.8198
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:00:31 GMT 2023` Edited by `admin` on `Sat Dec 16 09:00:31 GMT 2023`
Record UNII	1LMG3ZH49K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-((3.BETA.,5R,6.BETA.)-3-(ACETYLOXY)CHOLESTANO(5,6-B)AZIRIN-1'(6H)-YL)-1H-ISOINDOLE-1,3(2H)-DIONE

Common Name

English

1H-ISOINDOLE-1,3(2H)-DIONE, 2-((3.BETA.,5R,6.BETA.)-3-(ACETYLOXY)CHOLESTANO(5,6-B)AZIRIN-1'(6H)-YL)-

Systematic Name

English

1H-ISOINDOLE-1,3(2H)-DIONE, 2-((3-BETA,5R,6-BETA)-3-(ACETYLOXY)CHOLESTANO(5,6-B)AZIRIN-1'(6H)-YL)-

Systematic Name

English

1H-ISOINDOLE-1,3(2H)-DIONE, 2-((3B,5R,6B)-3-(ACETYLOXY)CHOLESTANO(5,6-B)AZIRIN-1'(6H)-YL)-

Common Name

English

Code System Code Type Description

CAS

118517-20-7

Created by admin on Sat Dec 16 09:00:31 GMT 2023 , Edited by admin on Sat Dec 16 09:00:31 GMT 2023

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FDA UNII

1LMG3ZH49K

Created by admin on Sat Dec 16 09:00:31 GMT 2023 , Edited by admin on Sat Dec 16 09:00:31 GMT 2023

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PUBCHEM

147256

Created by admin on Sat Dec 16 09:00:31 GMT 2023 , Edited by admin on Sat Dec 16 09:00:31 GMT 2023

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EPA CompTox

DTXSID60922698

Created by admin on Sat Dec 16 09:00:31 GMT 2023 , Edited by admin on Sat Dec 16 09:00:31 GMT 2023

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