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Details

Stereochemistry EPIMERIC
Molecular Formula C25H34O7
Molecular Weight 446.5342
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 23-HYDROXYBUDESONIDE, (S)-

SMILES

CC[C@@]([H])(C1([H])O[C@]2([H])C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@]([H])(C[C@]3(C)[C@]2(C(=O)CO)O1)O)O

InChI

InChIKey=OBFKEHNWUXWRPI-RXLFUAMPSA-N
InChI=1S/C25H34O7/c1-4-17(28)22-31-20-10-16-15-6-5-13-9-14(27)7-8-23(13,2)21(15)18(29)11-24(16,3)25(20,32-22)19(30)12-26/h7-9,15-18,20-22,26,28-29H,4-6,10-12H2,1-3H3/t15-,16-,17-,18-,20+,21+,22?,23-,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H34O7
Molecular Weight 446.5342
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 8 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 06:54:56 UTC 2021
Edited
by admin
on Sat Jun 26 06:54:56 UTC 2021
Record UNII
Q7WC903HVT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
23-HYDROXYBUDESONIDE, (S)-
Common Name English
Code System Code Type Description
FDA UNII
Q7WC903HVT
Created by admin on Sat Jun 26 06:54:56 UTC 2021 , Edited by admin on Sat Jun 26 06:54:56 UTC 2021
PRIMARY
PUBCHEM
91810698
Created by admin on Sat Jun 26 06:54:56 UTC 2021 , Edited by admin on Sat Jun 26 06:54:56 UTC 2021
PRIMARY
CAS
1453293-96-3
Created by admin on Sat Jun 26 06:54:56 UTC 2021 , Edited by admin on Sat Jun 26 06:54:56 UTC 2021
PRIMARY
CAS
109423-03-2
Created by admin on Sat Jun 26 06:54:56 UTC 2021 , Edited by admin on Sat Jun 26 06:54:56 UTC 2021
NON-SPECIFIC STEREOCHEMISTRY
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