6-ETHYLIDENE OBETICHOLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H42O4
Molecular Weight	418.6093
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 6-ETHYLIDENE OBETICHOLIC ACID

Structure Search

SMILES

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

InChI

InChIKey=NJXXWLPIJNFPHG-VFDZYYAVSA-N

InChI=1S/C26H42O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h5,15-16,18-21,23-24,27,30H,6-14H2,1-4H3,(H,28,29)/b17-5+/t15-,16-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H42O4
Molecular Weight	418.6093
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:05:25 GMT 2023` Edited by `admin` on `Sat Dec 16 18:05:25 GMT 2023`
Record UNII	RQZ9GLR9PF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-ETHYLIDENE OBETICHOLIC ACID

Common Name

English

(3.ALPHA.,5.BETA.,7.ALPHA.)-6-ETHYLIDENE-3,7-DIHYDROXYCHOLAN-24-OIC ACID

Common Name

English

CHOLAN-24-OIC ACID, 6-ETHYLIDENE-3,7-DIHYDROXY-, (3.ALPHA.,5.BETA.,7.ALPHA.)

Common Name

English

Code System Code Type Description

PUBCHEM

126455624

Created by admin on Sat Dec 16 18:05:25 GMT 2023 , Edited by admin on Sat Dec 16 18:05:25 GMT 2023

PRIMARY

FDA UNII

RQZ9GLR9PF

Created by admin on Sat Dec 16 18:05:25 GMT 2023 , Edited by admin on Sat Dec 16 18:05:25 GMT 2023

PRIMARY

CAS

1947343-07-8

Created by admin on Sat Dec 16 18:05:25 GMT 2023 , Edited by admin on Sat Dec 16 18:05:25 GMT 2023

PRIMARY

CAS

1908444-27-8

Created by admin on Sat Dec 16 18:05:25 GMT 2023 , Edited by admin on Sat Dec 16 18:05:25 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY