ETIOCHOLANOLONE GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H38O8
Molecular Weight	466.5644
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ETIOCHOLANOLONE GLUCURONIDE

Structure Search

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@]4([H])C[C@@H](CC[C@]34C)O[C@]5([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O

InChI

InChIKey=VFUIRAVTUVCQTF-SDHZCXLISA-N

InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13-,14+,15+,16+,18+,19+,20-,21+,23-,24+,25+/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

ETIOCHOLANOLONE GLUCURONIDE

Common Name

English

5.BETA.-ANDROSTAN-3.ALPHA.-OL-17-ONE GLUCURONIDE

Systematic Name

English

3.ALPHA.-HYDROXY-5.BETA.-ANDROSTAN-17-ONE GLUCURONIDE

Systematic Name

English

ETIOCHOLAN-3.ALPHA.-OL-17-ONE 3-GLUCURONIDE

Systematic Name

English

(3.ALPHA.,5.BETA.)-17-OXOANDROSTAN-3-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

Systematic Name

English

GLUCOPYRANOSIDURONIC ACID, 17-OXO-5.BETA.-ANDROSTAN-3.ALPHA.-YL, .BETA.-D-

Systematic Name

English

ANDROSTAN-3-OL-17-ONE 3-GLUCURONIDE

Systematic Name

English

NSC-113100

Code

English

Code System Code Type Description

EPA CompTox

DTXSID201335941