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Details

Stereochemistry EPIMERIC
Molecular Formula C25H32O7
Molecular Weight 444.5183
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6,7-DEHYDRO-23-HYDROXYBUDESONIDE, (23S)-

SMILES

CC[C@@]([H])(C1([H])O[C@]2([H])C[C@@]3([H])[C@]4([H])C=CC5=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=PHOVKEJTNUDLLK-RXLFUAMPSA-N
InChI=1S/C25H32O7/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/h5-9,15-18,20-22,26,28-29H,4,10-12H2,1-3H3/t15-,16-,17-,18-,20+,21+,22?,23-,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H32O7
Molecular Weight 444.5183
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 05:53:48 UTC 2021
Edited
by admin
on Sat Jun 26 05:53:48 UTC 2021
Record UNII
74RGQ9394X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6,7-DEHYDRO-23-HYDROXYBUDESONIDE, (23S)-
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 11,21-DIHYDROXY-16,17-(((2S)-2-HYDROXYBUTYLIDENE)BIS(OXY))-, (11.BETA.,16.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
1453293-98-5
Created by admin on Sat Jun 26 05:53:48 UTC 2021 , Edited by admin on Sat Jun 26 05:53:48 UTC 2021
PRIMARY
FDA UNII
74RGQ9394X
Created by admin on Sat Jun 26 05:53:48 UTC 2021 , Edited by admin on Sat Jun 26 05:53:48 UTC 2021
PRIMARY
PUBCHEM
91810699
Created by admin on Sat Jun 26 05:53:48 UTC 2021 , Edited by admin on Sat Jun 26 05:53:48 UTC 2021
PRIMARY
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