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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H36O4
Molecular Weight	352.5081
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

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

InChI

InChIKey=MQSSTQLJJOVNQF-KWHXHVTNSA-N

InChI=1S/C21H36O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-18,22-25H,3-12H2,1-2H3/t13-,14-,15+,16-,17-,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H36O4
Molecular Weight	352.5081
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 22:29:26 GMT 2025` Edited by `admin` on `Mon Mar 31 22:29:26 GMT 2025`
Record UNII	6Q677A4341
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

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

Common Name

English

REICHSTEIN'S SUBSTANCE K

Common Name

English

5.ALPHA.-PREGNANE-3.BETA.,17,20.BETA.,21-TETROL

Systematic Name

English

PREGNANE-3,17,20,21-TETROL, (3.BETA.,5.ALPHA.,20R)-

Systematic Name

English

Code System Code Type Description

MERCK INDEX

m13

Created by admin on Mon Mar 31 22:29:26 GMT 2025 , Edited by admin on Mon Mar 31 22:29:26 GMT 2025

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Merck Index

PUBCHEM

90478897

Created by admin on Mon Mar 31 22:29:26 GMT 2025 , Edited by admin on Mon Mar 31 22:29:26 GMT 2025

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CAS

566-41-6

Created by admin on Mon Mar 31 22:29:26 GMT 2025 , Edited by admin on Mon Mar 31 22:29:26 GMT 2025

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FDA UNII

6Q677A4341

Created by admin on Mon Mar 31 22:29:26 GMT 2025 , Edited by admin on Mon Mar 31 22:29:26 GMT 2025

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