METHYL CHENODEOXYCHOLATE DIACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H46O6
Molecular Weight	490.6719
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHYL CHENODEOXYCHOLATE DIACETATE

Structure Search

SMILES

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

InChI

InChIKey=ZKHVKSAMEUAGEN-JSWGAMEVSA-N

InChI=1S/C29H46O6/c1-17(7-10-26(32)33-6)22-8-9-23-27-24(12-14-29(22,23)5)28(4)13-11-21(34-18(2)30)15-20(28)16-25(27)35-19(3)31/h17,20-25,27H,7-16H2,1-6H3/t17-,20+,21-,22-,23+,24+,25-,27+,28+,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H46O6
Molecular Weight	490.6719
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 14:59:27 GMT 2023` Edited by `admin` on `Fri Dec 15 14:59:27 GMT 2023`
Record UNII	X4FU9EI1O4
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

METHYL CHENODEOXYCHOLATE DIACETATE

Common Name

English

CHOLAN-24-OIC ACID, 3,7-BIS(ACETYLOXY)-, METHYL ESTER, (3.ALPHA.,5.BETA.,7.ALPHA.)-

Common Name

English

CHENODEOXYCHOLIC ACID DIACETATE METHYL ESTER

Common Name

English

METHYL 3.ALPHA.,7.ALPHA.-DIACETOXY-5.BETA.-CHOLAN-24-OATE

Common Name

English

Code System Code Type Description

CAS

2616-71-9

Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023

PRIMARY

FDA UNII

X4FU9EI1O4

Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023

PRIMARY

EPA CompTox

DTXSID30466756

Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023

PRIMARY

PUBCHEM

11466003

Created by admin on Fri Dec 15 14:59:27 GMT 2023 , Edited by admin on Fri Dec 15 14:59:27 GMT 2023

PRIMARY