3-(ACETYLOXY)-6-(HYDROXYIMINO)CHOLAN-24-OIC ACID METHYL ESTER, (3.ALPHA.,5.BETA.)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H43NO5
Molecular Weight	461.634
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3-(ACETYLOXY)-6-(HYDROXYIMINO)CHOLAN-24-OIC ACID METHYL ESTER, (3.ALPHA.,5.BETA.)-

Structure Search

SMILES

[H][C@@]12CC[C@H]([C@H](C)CCC(=O)OC)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])C\C(=N/O)[C@]4([H])C[C@@H](CC[C@]34C)OC(C)=O

InChI

InChIKey=JHIUKMMGUICVJR-BZBJQHDOSA-N

InChI=1S/C27H43NO5/c1-16(6-9-25(30)32-5)20-7-8-21-19-15-24(28-31)23-14-18(33-17(2)29)10-12-27(23,4)22(19)11-13-26(20,21)3/h16,18-23,31H,6-15H2,1-5H3/b28-24+/t16-,18-,19+,20-,21+,22+,23+,26-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H43NO5
Molecular Weight	461.634
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:14:18 GMT 2023` Edited by `admin` on `Sat Dec 16 11:14:18 GMT 2023`
Record UNII	7UP92N11YO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(ACETYLOXY)-6-(HYDROXYIMINO)CHOLAN-24-OIC ACID METHYL ESTER, (3.ALPHA.,5.BETA.)-

Common Name

English

3ALPHA-ACETYLOXY-6-HYDROXYIMINO-5BETA-CHOLANIC ACID METHYL ESTER

Systematic Name

English

Code System Code Type Description

CAS

59783-88-9

Created by admin on Sat Dec 16 11:14:18 GMT 2023 , Edited by admin on Sat Dec 16 11:14:18 GMT 2023

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FDA UNII

7UP92N11YO

Created by admin on Sat Dec 16 11:14:18 GMT 2023 , Edited by admin on Sat Dec 16 11:14:18 GMT 2023

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PUBCHEM

118796437

Created by admin on Sat Dec 16 11:14:18 GMT 2023 , Edited by admin on Sat Dec 16 11:14:18 GMT 2023

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