4-PREGNENE-20,21-DIOL-3,11-DIONE, (20S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H30O4
Molecular Weight	346.4605
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-PREGNENE-20,21-DIOL-3,11-DIONE, (20S)-

Structure Search

SMILES

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

InChI

InChIKey=UJDLFLAJWMSLEB-JXIMHRGCSA-N

InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-16,18-19,22,25H,3-8,10-11H2,1-2H3/t14-,15-,16+,18+,19+,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H30O4
Molecular Weight	346.4605
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 09:44:58 GMT 2023` Edited by `admin` on `Sat Dec 16 09:44:58 GMT 2023`
Record UNII	5TTW07O3PA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-PREGNENE-20,21-DIOL-3,11-DIONE, (20S)-

Common Name

English

PREGN-4-ENE-3,11-DIONE, 20,21-DIHYDROXY-, (20S)-

Systematic Name

English

PREGN-4-ENE-3,11-DIONE, 20.BETA.,21-DIHYDROXY-

Systematic Name

English

Code System Code Type Description

FDA UNII

5TTW07O3PA

Created by admin on Sat Dec 16 09:44:58 GMT 2023 , Edited by admin on Sat Dec 16 09:44:58 GMT 2023

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CAS

600-70-4

Created by admin on Sat Dec 16 09:44:58 GMT 2023 , Edited by admin on Sat Dec 16 09:44:58 GMT 2023

PRIMARY

PUBCHEM

90479095

Created by admin on Sat Dec 16 09:44:58 GMT 2023 , Edited by admin on Sat Dec 16 09:44:58 GMT 2023

PRIMARY