3.ALPHA.,5.ALPHA.-TETRAHYDROALDOSTERONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H32O5
Molecular Weight	364.4758
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3.ALPHA.,5.ALPHA.-TETRAHYDROALDOSTERONE

Structure Search

SMILES

[H][C@@]12CC[C@H](C(=O)CO)[C@]1(C[C@H](O)[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@H](O)CC[C@]34C)C=O

InChI

InChIKey=YWTDWORQGPLRLL-AMFFCYTCSA-N

InChI=1S/C21H32O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h11-17,19,22,24-25H,2-10H2,1H3/t12-,13+,14-,15-,16+,17-,19+,20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H32O5
Molecular Weight	364.4758
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:52:00 GMT 2023` Edited by `admin` on `Sat Dec 16 07:52:00 GMT 2023`
Record UNII	VNY82OP5GO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3.ALPHA.,5.ALPHA.-TETRAHYDROALDOSTERONE

Common Name

English

PREGNAN-18-AL, 3,11,21-TRIHYDROXY-20-OXO-, (3.ALPHA.,5.ALPHA.,11.BETA.)-

Systematic Name

English

TETRAHYDROALDOSTERONE, 3.ALPHA.,5.ALPHA.-

Common Name

English

Code System Code Type Description

FDA UNII

VNY82OP5GO

Created by admin on Sat Dec 16 07:52:00 GMT 2023 , Edited by admin on Sat Dec 16 07:52:00 GMT 2023

PRIMARY

PUBCHEM

13847326

Created by admin on Sat Dec 16 07:52:00 GMT 2023 , Edited by admin on Sat Dec 16 07:52:00 GMT 2023

PRIMARY

CAS

6251-75-8

Created by admin on Sat Dec 16 07:52:00 GMT 2023 , Edited by admin on Sat Dec 16 07:52:00 GMT 2023

PRIMARY

Related Record Type Details


					4964P6T9RB

ALDOSTERONE

PARENT -> METABOLITE LESS ACTIVE

Comments:

A clear hierarchy of antinatriuretic activity, aldosterone > 5.alpha.-DHA > 3.alpha.,5.alpha-THA > 3.alpha.,5.beta.-THA > 3.beta.,5.alpha.-THA > 5.beta.-DHA > 3.beta.,5.beta.-THA was observed