11,17,20,21-TETRAHYDROXYPREGN-4-EN-3-ONE 20,21-DIACETATE, (11.BETA.,20R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H36O7
Molecular Weight	448.5491
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 11,17,20,21-TETRAHYDROXYPREGN-4-EN-3-ONE 20,21-DIACETATE, (11.BETA.,20R)-

Structure Search

SMILES

CC(=O)OC[C@@H](OC(C)=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C

InChI

InChIKey=CKVHJZLCOPFWFB-TVWUHQBQSA-N

InChI=1S/C25H36O7/c1-14(26)31-13-21(32-15(2)27)25(30)10-8-19-18-6-5-16-11-17(28)7-9-23(16,3)22(18)20(29)12-24(19,25)4/h11,18-22,29-30H,5-10,12-13H2,1-4H3/t18-,19-,20-,21+,22+,23-,24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H36O7
Molecular Weight	448.5491
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 21:44:46 GMT 2025` Edited by `admin` on `Mon Mar 31 21:44:46 GMT 2025`
Record UNII	QD1XLV75PI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-PREGNENE-11.BETA.,17.ALPHA.,20.BETA.,21-TETROL-3-ONE 20,21-DIACETATE

Preferred Name

English

11,17,20,21-TETRAHYDROXYPREGN-4-EN-3-ONE 20,21-DIACETATE, (11.BETA.,20R)-

Common Name

English

PREGN-4-EN-3-ONE, 20,21-BIS(ACETYLOXY)-11,17-DIHYDROXY-, (11.BETA.,20R)-

Systematic Name

English

4-PREGNENE-11.BETA.,17.ALPHA.,20.BETA.,21-TETROL-3-ONE 20,21-DIACETATE [MI]

Common Name

English

Code System Code Type Description

CAS

6190-51-8