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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H38O8
Molecular Weight 466.5654
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETIOCHOLANOLONE GLUCURONIDE

SMILES

C[C@@]12CC[C@]([H])(C[C@@]2([H])CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@@]31[H])O[C@@]5([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O5)O)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

Molecular Formula C25H38O8
Molecular Weight 466.5654
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 21:37:20 UTC 2021
Edited
by admin
on Fri Jun 25 21:37:20 UTC 2021
Record UNII
9LK4DML9R2
Record Status Validated (UNII)
Record Version
  • Download
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
CAS
3602-09-3
Created by admin on Fri Jun 25 21:37:20 UTC 2021 , Edited by admin on Fri Jun 25 21:37:20 UTC 2021
PRIMARY
FDA UNII
9LK4DML9R2
Created by admin on Fri Jun 25 21:37:20 UTC 2021 , Edited by admin on Fri Jun 25 21:37:20 UTC 2021
PRIMARY
PUBCHEM
443078
Created by admin on Fri Jun 25 21:37:20 UTC 2021 , Edited by admin on Fri Jun 25 21:37:20 UTC 2021
PRIMARY
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