ALLOPREGNANE-3.BETA.,11.BETA.,17.ALPHA.,21-TETROL-20-ONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H34O5
Molecular Weight	366.4917
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALLOPREGNANE-3.BETA.,11.BETA.,17.ALPHA.,21-TETROL-20-ONE

Structure Search

SMILES

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

InChI

InChIKey=AODPIQQILQLWGS-VSJLKEFSSA-N

InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H34O5
Molecular Weight	366.4917
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 `Mon Mar 31 17:50:56 GMT 2025` Edited by `admin` on `Mon Mar 31 17:50:56 GMT 2025`
Record UNII	D1M0AC225V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(+)-ALLOPREGNANE-3.BETA.,11.BETA.,17.ALPHA.,21-TETROL-20-ONE

Preferred Name

English

ALLOPREGNANE-3.BETA.,11.BETA.,17.ALPHA.,21-TETROL-20-ONE

Common Name

English

3.BETA.-ALLOTETRAHYDROCORTISOL

Common Name

English

ALLOPREGNANE-3.BETA.,11.BETA.,17.ALPHA.,21-TETROL-20-ONE [MI]

Common Name

English

5.ALPHA.-PREGNAN-20-ONE, 3.BETA.,11.BETA.,17,21-TETRAHYDROXY-

Systematic Name

English

REICHSTEIN'S SUBSTANCE V

Common Name

English

PREGNAN-20-ONE, 3,11,17,21-TETRAHYDROXY-, (3.BETA.,5.ALPHA.,11.BETA.)-

Systematic Name

English

3.BETA.,5.ALPHA.-TETRAHYDROCORTISOL

Common Name

English

Code System Code Type Description

MERCK INDEX

m14