URSODEOXYCHOLIC ACID GLUCOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H50O9
Molecular Weight	554.7126
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of URSODEOXYCHOLIC ACID GLUCOSIDE

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](C)CCC(O)=O

InChI

InChIKey=QRLIJDGVRXVHQD-CYIRBYAUSA-N

InChI=1S/C30H50O9/c1-15(4-7-23(33)34)18-5-6-19-24-20(9-11-30(18,19)3)29(2)10-8-17(12-16(29)13-21(24)32)38-28-27(37)26(36)25(35)22(14-31)39-28/h15-22,24-28,31-32,35-37H,4-14H2,1-3H3,(H,33,34)/t15-,16+,17-,18-,19+,20+,21+,22-,24+,25-,26+,27-,28-,29+,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H50O9
Molecular Weight	554.7126
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 15
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:47:04 GMT 2023` Edited by `admin` on `Sat Dec 16 10:47:04 GMT 2023`
Record UNII	YK2K6N3ZVU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

URSODEOXYCHOLIC ACID GLUCOSIDE

Common Name

English

CHOLAN-24-OIC ACID, 3-(.BETA.-D-GLUCOPYRANOSYLOXY)-7-HYDROXY-, (3.ALPHA.,5.BETA.,7.BETA.)-

Common Name

English

(R)-4-((3R,5R,7S,8R,9S,10S,13R,14S,17R)-7-HYDROXY-10,13-DIMETHYL-3-(((2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-YL)OXY)HEXADECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-17-YL)PENTANOIC ACID

Common Name

English

(3.ALPHA.,5.BETA.,7.BETA.)-3-(.BETA.-D-GLUCOPYRANOSYLOXY)-7-HYDROXYCHOLAN-24-OIC ACID

Common Name

English

Code System Code Type Description

PUBCHEM

197396

Created by admin on Sat Dec 16 10:47:04 GMT 2023 , Edited by admin on Sat Dec 16 10:47:04 GMT 2023

PRIMARY

EPA CompTox

DTXSID80160873

Created by admin on Sat Dec 16 10:47:04 GMT 2023 , Edited by admin on Sat Dec 16 10:47:04 GMT 2023

PRIMARY

CAS

139026-50-9

Created by admin on Sat Dec 16 10:47:04 GMT 2023 , Edited by admin on Sat Dec 16 10:47:04 GMT 2023

PRIMARY

FDA UNII

YK2K6N3ZVU

Created by admin on Sat Dec 16 10:47:04 GMT 2023 , Edited by admin on Sat Dec 16 10:47:04 GMT 2023

PRIMARY

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