2'-BENZYL-11 BETA,17 ALPHA,21-TRIHYDROXY-16 ALPHA METHYL-20-OXO-PREGN-4-ENO(3,2-C)PYRAZOLE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H38N2O4
Molecular Weight	490.6337
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2'-BENZYL-11 BETA,17 ALPHA,21-TRIHYDROXY-16 ALPHA METHYL-20-OXO-PREGN-4-ENO(3,2-C)PYRAZOLE

Structure Search

SMILES

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC5=C(C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO)C=NN5CC6=CC=CC=C6

InChI

InChIKey=CXNIBUZODGWCQJ-SSWKEDHISA-N

InChI=1S/C30H38N2O4/c1-18-11-23-22-10-9-21-12-24-20(15-31-32(24)16-19-7-5-4-6-8-19)13-28(21,2)27(22)25(34)14-29(23,3)30(18,36)26(35)17-33/h4-8,12,15,18,22-23,25,27,33-34,36H,9-11,13-14,16-17H2,1-3H3/t18-,22+,23+,25+,27-,28+,29+,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H38N2O4
Molecular Weight	490.6337
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:08:04 GMT 2025` Edited by `admin` on `Mon Mar 31 18:08:04 GMT 2025`
Record UNII	RXV7CB5W1F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2'-BENZYL-11 BETA,17 ALPHA,21-TRIHYDROXY-16 ALPHA METHYL-20-OXO-PREGN-4-ENO(3,2-C)PYRAZOLE

Common Name

English

2'-BENZYL-11.BETA.,17.ALPHA.,21-TRIHYDROXY-16.ALPHA.-METHYL-20-OXO-PREGN-4-ENO(3,2-C)PYRAZOLE

Preferred Name

English

2'H-PREGNA-2,4-DIENO(3,2-C)PYRAZOL-20-ONE, 11,17,21-TRIHYDROXY-16-METHYL-2'-(PHENYLMETHYL)-, (11.BETA.,16.ALPHA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

134687312

Created by admin on Mon Mar 31 18:08:04 GMT 2025 , Edited by admin on Mon Mar 31 18:08:04 GMT 2025

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FDA UNII

RXV7CB5W1F

Created by admin on Mon Mar 31 18:08:04 GMT 2025 , Edited by admin on Mon Mar 31 18:08:04 GMT 2025

PRIMARY

CAS

54941-57-0

Created by admin on Mon Mar 31 18:08:04 GMT 2025 , Edited by admin on Mon Mar 31 18:08:04 GMT 2025

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