9.ALPHA.-FLUORO-11.BETA.,16.ALPHA.,17.ALPHA.,21-TETRAHYDROXY-5.BETA.-PREGNA-20-ONE-(3,2-C)-2'-PHENYLPYRAZOLE 16,17-ACETONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H39FN2O5
Molecular Weight	538.6502
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 9.ALPHA.-FLUORO-11.BETA.,16.ALPHA.,17.ALPHA.,21-TETRAHYDROXY-5.BETA.-PREGNA-20-ONE-(3,2-C)-2'-PHENYLPYRAZOLE 16,17-ACETONIDE

Structure Search

SMILES

[H][C@@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])CC6=C(C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO)C=NN6C7=CC=CC=C7

InChI

InChIKey=WPIUDZQIMYNBFN-UZGHATLQSA-N

InChI=1S/C31H39FN2O5/c1-27(2)38-26-13-22-21-11-10-19-12-23-18(16-33-34(23)20-8-6-5-7-9-20)14-28(19,3)30(21,32)24(36)15-29(22,4)31(26,39-27)25(37)17-35/h5-9,16,19,21-22,24,26,35-36H,10-15,17H2,1-4H3/t19-,21+,22+,24+,26-,28+,29+,30+,31-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

9.ALPHA.-FLUORO-11.BETA.,16.ALPHA.,17.ALPHA.,21-TETRAHYDROXY-5.BETA.-PREGNA-20-ONE-(3,2-C)-2'-PHENYLPYRAZOLE 16,17-ACETONIDE

Systematic Name

English

2'H-PREGN-2-ENO(3,2-C)PYRAZOL-20-ONE, 9-FLUORO-11,21-DIHYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-2'-PHENYL-, (5.BETA.,11.BETA.,16.ALPHA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

131842262

Created by admin on Fri Dec 15 15:05:21 GMT 2023 , Edited by admin on Fri Dec 15 15:05:21 GMT 2023

PRIMARY

CAS

23816-54-8

Created by admin on Fri Dec 15 15:05:21 GMT 2023 , Edited by admin on Fri Dec 15 15:05:21 GMT 2023

PRIMARY

FDA UNII

UCV1HVO0QS

Created by admin on Fri Dec 15 15:05:21 GMT 2023 , Edited by admin on Fri Dec 15 15:05:21 GMT 2023

PRIMARY

SUBSTANCE RECORD


					UCV1HVO0QS

9.ALPHA.-FLUORO-11.BETA.,16.ALPHA.,17.ALPHA.,21-TETRAHYDROXY-5.BETA.-PREGNA-20-ONE-(3,2-C)-2'-PHENYLPYRAZOLE 16,17-ACETONIDE