TRIACETOXYCHOLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H46O8
Molecular Weight	534.6814
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=QZUORFHTBYGMJJ-SMSYYINHSA-N

InChI=1S/C30H46O8/c1-16(7-10-27(34)35)22-8-9-23-28-24(15-26(30(22,23)6)38-19(4)33)29(5)12-11-21(36-17(2)31)13-20(29)14-25(28)37-18(3)32/h16,20-26,28H,7-15H2,1-6H3,(H,34,35)/t16-,20+,21-,22-,23+,24+,25-,26+,28+,29+,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H46O8
Molecular Weight	534.6814
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:56:20 GMT 2025` Edited by `admin` on `Tue Apr 01 16:56:20 GMT 2025`
Record UNII	JFJ4AC471J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRIACETOXYCHOLIC ACID

Common Name

English

CHOLIC ACID 3,7,12-TRIACETATE

Preferred Name

English

CHOLAN-24-OIC ACID, 3,7,12-TRIS(ACETYLOXY)-, (3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-

Systematic Name

English

(3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-3,7,12-TRIS(ACETYLOXY)CHOLAN-24-OIC ACID

Systematic Name

English

CHOLIC ACID, TRIACETATE

Common Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

13529202

Created by admin on Tue Apr 01 16:56:20 GMT 2025 , Edited by admin on Tue Apr 01 16:56:20 GMT 2025

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CAS

52840-09-2

Created by admin on Tue Apr 01 16:56:20 GMT 2025 , Edited by admin on Tue Apr 01 16:56:20 GMT 2025

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FDA UNII

JFJ4AC471J

Created by admin on Tue Apr 01 16:56:20 GMT 2025 , Edited by admin on Tue Apr 01 16:56:20 GMT 2025

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