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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H34O5
Molecular Weight 462.5773
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17,21-Dihydroxy-16?-methylpregna-4,9(11)-diene-3,20-dione, 21-benzoate

SMILES

C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(=O)C5=CC=CC=C5

InChI

InChIKey=KYCCZIHTLYZNFV-SCKJBXJSSA-N
InChI=1S/C29H34O5/c1-18-15-24-22-10-9-20-16-21(30)11-13-27(20,2)23(22)12-14-28(24,3)29(18,33)25(31)17-34-26(32)19-7-5-4-6-8-19/h4-8,12,16,18,22,24,33H,9-11,13-15,17H2,1-3H3/t18-,22+,24-,27-,28-,29-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Pregna-4,9(11)-diene-3,20-dione, 21-(benzoyloxy)-17-hydroxy-16-methyl-, (16?)-
Preferred Name English
17,21-Dihydroxy-16?-methylpregna-4,9(11)-diene-3,20-dione, 21-benzoate
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40192857
Created by admin on Tue Apr 01 18:46:20 GMT 2025 , Edited by admin on Tue Apr 01 18:46:20 GMT 2025
PRIMARY
ECHA (EC/EINECS)
254-629-2
Created by admin on Tue Apr 01 18:46:20 GMT 2025 , Edited by admin on Tue Apr 01 18:46:20 GMT 2025
PRIMARY
FDA UNII
B9ED2W8NTX
Created by admin on Tue Apr 01 18:46:20 GMT 2025 , Edited by admin on Tue Apr 01 18:46:20 GMT 2025
PRIMARY
PUBCHEM
56842267
Created by admin on Tue Apr 01 18:46:20 GMT 2025 , Edited by admin on Tue Apr 01 18:46:20 GMT 2025
PRIMARY
CAS
39780-54-6
Created by admin on Tue Apr 01 18:46:20 GMT 2025 , Edited by admin on Tue Apr 01 18:46:20 GMT 2025
PRIMARY