METHYL 7-KETOCHOLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H40O5
Molecular Weight	420.5821
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=BCPZDSVCYKERMU-CDKLUHQYSA-N

InChI=1S/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-19,21,23,26,28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,21+,23+,24+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H40O5
Molecular Weight	420.5821
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 `Fri Dec 15 19:00:43 GMT 2023` Edited by `admin` on `Fri Dec 15 19:00:43 GMT 2023`
Record UNII	YZO7HX16N0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYL 7-KETOCHOLATE

Common Name

English

METHYL-7-KETO-3.ALPHA.,12.ALPHA.-DIHYDROXY-5.BETA.-CHOLANOATE

Systematic Name

English

5.BETA.-CHOLANIC ACID, 3.ALPHA.,12.ALPHA.-DIHYDROXY-7-OXO-, METHYL ESTER

Common Name

English

CHOLAN-24-OIC ACID, 3,12-DIHYDROXY-7-OXO-, METHYL ESTER, (3.ALPHA.,5.BETA.,12.ALPHA.)-

Common Name

English

5.BETA.-CHOLAN-24-OIC ACID, 3.ALPHA.,12.ALPHA.-DIHYDROXY-7-OXO-, METHYL ESTER

Common Name

English

(3.ALPHA.,5.BETA.,12.ALPHA.)-3,12-DIHYDROXY-7-OXOCHOLAN-24-OIC ACID METHYL ESTER

Systematic Name

English

Code System Code Type Description

PUBCHEM

13990156

Created by admin on Fri Dec 15 19:00:43 GMT 2023 , Edited by admin on Fri Dec 15 19:00:43 GMT 2023

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EPA CompTox

DTXSID00909483

Created by admin on Fri Dec 15 19:00:43 GMT 2023 , Edited by admin on Fri Dec 15 19:00:43 GMT 2023

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CAS

10538-65-5

Created by admin on Fri Dec 15 19:00:43 GMT 2023 , Edited by admin on Fri Dec 15 19:00:43 GMT 2023

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FDA UNII

YZO7HX16N0

Created by admin on Fri Dec 15 19:00:43 GMT 2023 , Edited by admin on Fri Dec 15 19:00:43 GMT 2023

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