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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H41NO10.2H2O
Molecular Weight 599.6671
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11.BETA.,17-DIHYDROXY-3,20-DIONE-1,4-PREGNADIENE-21-YL-2'-ACETAMIDO-2'-DEOXY-.BETA.-D-GLUCOPYRANOSIDE DIHYDRATE

SMILES

O.O.[H][C@@]12CC[C@](O)(C(=O)CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@]1(C)C[C@H](O)[C@@]4([H])[C@@]2([H])CCC5=CC(=O)C=C[C@]45C

InChI

InChIKey=IQLOYSBYWKQCRJ-AAJUYHQHSA-N
InChI=1S/C29H41NO10.2H2O/c1-14(32)30-23-25(37)24(36)20(12-31)40-26(23)39-13-21(35)29(38)9-7-18-17-5-4-15-10-16(33)6-8-27(15,2)22(17)19(34)11-28(18,29)3;;/h6,8,10,17-20,22-26,31,34,36-38H,4-5,7,9,11-13H2,1-3H3,(H,30,32);2*1H2/t17-,18-,19-,20+,22+,23+,24+,25+,26+,27-,28-,29-;;/m0../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
11.BETA.,17-DIHYDROXY-3,20-DIONE-1,4-PREGNADIENE-21-YL-2'-ACETAMIDO-2'-DEOXY-.BETA.-D-GLUCOPYRANOSIDE DIHYDRATE
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 21-((2-(ACETYLAMINO)-2-DEOXY-.BETA.-D-GLUCOPYRANOSYL)OXY)-11,17-DIHYDROXY-, DIHYDRATE, (11.BETA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
C67HX2ZIJ5
Created by admin on Fri Dec 15 15:05:24 GMT 2023 , Edited by admin on Fri Dec 15 15:05:24 GMT 2023
PRIMARY
IUPHAR
133082930
Created by admin on Fri Dec 15 15:05:24 GMT 2023 , Edited by admin on Fri Dec 15 15:05:24 GMT 2023
PRIMARY
PUBCHEM
133082930
Created by admin on Fri Dec 15 15:05:24 GMT 2023 , Edited by admin on Fri Dec 15 15:05:24 GMT 2023
PRIMARY
CAS
24358-97-2
Created by admin on Fri Dec 15 15:05:24 GMT 2023 , Edited by admin on Fri Dec 15 15:05:24 GMT 2023
PRIMARY