URSOCHOLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H40O5
Molecular Weight	408.5714
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](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)=O

InChI

InChIKey=BHQCQFFYRZLCQQ-UTLSPDKDSA-N

InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19+,20+,22+,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H40O5
Molecular Weight	408.5714
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:17:49 UTC 2023` Edited by `admin` on `Fri Dec 15 15:17:49 UTC 2023`
Record UNII	MLP1T05RBX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

URSOCHOLIC ACID

Common Name

English

7-EPICHOLIC ACID

Common Name

English

URSODEOXYCHOLIC ACID IMPURITY D [EP IMPURITY]

Common Name

English

3.ALPHA.,7.BETA.,12.ALPHA.-TRIHYDROXY-5.BETA.-CHOLANIC ACID

Systematic Name

English

URSOCHOLIC ACID [EP IMPURITY]

Common Name

English

3.ALPHA.,7.BETA.,12.ALPHA.-TRIHYDROXY-5 BETA-CHOLAN-24-OIC ACID

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID301018756