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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H41NO5
Molecular Weight	447.6074
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, (3.ALPHA.,5.BETA.)-

Structure Search

SMILES

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

InChI

InChIKey=WHCBXCKDJHKONT-INCGDRJOSA-N

InChI=1S/C26H41NO5/c1-15(5-8-24(29)30)19-6-7-20-18-14-23(27-31)22-13-17(32-16(2)28)9-11-26(22,4)21(18)10-12-25(19,20)3/h15,17-22,31H,5-14H2,1-4H3,(H,29,30)/b27-23+/t15-,17-,18+,19-,20+,21+,22+,25-,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H41NO5
Molecular Weight	447.6074
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 10:53:48 GMT 2023` Edited by `admin` on `Sat Dec 16 10:53:48 GMT 2023`
Record UNII	9YU7A3TD3U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

119025711

Created by admin on Sat Dec 16 10:53:48 GMT 2023 , Edited by admin on Sat Dec 16 10:53:48 GMT 2023

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FDA UNII

9YU7A3TD3U

Created by admin on Sat Dec 16 10:53:48 GMT 2023 , Edited by admin on Sat Dec 16 10:53:48 GMT 2023

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