17,20,21-TRIHYDROXYPREGN-4-EN-3-ONE 20,21-DIACETATE, (20R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H36O6
Molecular Weight	432.5497
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 17,20,21-TRIHYDROXYPREGN-4-EN-3-ONE 20,21-DIACETATE, (20R)-

Structure Search

SMILES

[H][C@@]12CC[C@](O)([C@@H](COC(C)=O)OC(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CCC4=CC(=O)CC[C@]34C

InChI

InChIKey=DTAHVNJOQVGRGJ-VZLOEOTNSA-N

InChI=1S/C25H36O6/c1-15(26)30-14-22(31-16(2)27)25(29)12-9-21-19-6-5-17-13-18(28)7-10-23(17,3)20(19)8-11-24(21,25)4/h13,19-22,29H,5-12,14H2,1-4H3/t19-,20+,21+,22-,23+,24+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H36O6
Molecular Weight	432.5497
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:53:06 GMT 2023` Edited by `admin` on `Sat Dec 16 07:53:06 GMT 2023`
Record UNII	5HY6X3Q0T9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

17,20,21-TRIHYDROXYPREGN-4-EN-3-ONE 20,21-DIACETATE, (20R)-

Common Name

English

PREGN-4-EN-3-ONE, 20,21-BIS(ACETYLOXY)-17-HYDROXY-, (20R)-

Systematic Name

English

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

Common Name

English

NSC-226892

Code

English

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

Common Name

English

Code System Code Type Description

FDA UNII

5HY6X3Q0T9