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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H40N2O4
Molecular Weight	468.6282
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

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=NN5C6CCCC6

InChI

InChIKey=COALYGCURRGBLU-BTDGBXNYSA-N

InChI=1S/C28H40N2O4/c1-16-10-21-20-9-8-18-11-22-17(14-29-30(22)19-6-4-5-7-19)12-26(18,2)25(20)23(32)13-27(21,3)28(16,34)24(33)15-31/h11,14,16,19-21,23,25,31-32,34H,4-10,12-13,15H2,1-3H3/t16-,20+,21+,23+,25-,26+,27+,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H40N2O4
Molecular Weight	468.6282
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 21:41:51 GMT 2025` Edited by `admin` on `Mon Mar 31 21:41:51 GMT 2025`
Record UNII	8PIG44BW1B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

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

Common Name

English

Code System Code Type Description

FDA UNII

8PIG44BW1B

Created by admin on Mon Mar 31 21:41:51 GMT 2025 , Edited by admin on Mon Mar 31 21:41:51 GMT 2025

PRIMARY

CAS

54941-88-7

Created by admin on Mon Mar 31 21:41:51 GMT 2025 , Edited by admin on Mon Mar 31 21:41:51 GMT 2025

PRIMARY

PUBCHEM

91810521

Created by admin on Mon Mar 31 21:41:51 GMT 2025 , Edited by admin on Mon Mar 31 21:41:51 GMT 2025

PRIMARY