ALLOPREGNANE-3.BETA.,11.BETA.,21-TRIOL-20-ONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H34O4
Molecular Weight	350.4923
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALLOPREGNANE-3.BETA.,11.BETA.,21-TRIOL-20-ONE

Structure Search

SMILES

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

InChI

InChIKey=RHQQHZQUAMFINJ-GKWSUJDHSA-N

InChI=1S/C21H34O4/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/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14-,15-,16+,17-,19+,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H34O4
Molecular Weight	350.4923
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:18:01 GMT 2023` Edited by `admin` on `Fri Dec 15 15:18:01 GMT 2023`
Record UNII	F590898GCA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALLOPREGNANE-3.BETA.,11.BETA.,21-TRIOL-20-ONE

Common Name

English

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

Systematic Name

English

REICHSTEIN'S SUBSTANCE R

Common Name

English

3.BETA.,5.ALPHA.-TETRAHYDROCORTICOSTERONE

Common Name

English

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

Common Name

English

CORTICOSTERONE, 3-ALLOTETRAHYDRO-, (3.BETA.)-

Common Name

English

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

Systematic Name

English

ALLOPREGNANE-3.BETA.,11.BETA.,21-TRIOL-20-ONE [MI]

Common Name

English

ALLOCORTICOSTERONE, TETRAHYDRO-

Common Name

English

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

Systematic Name

English

3.BETA.,11.BETA.,21-TRIHYDROXY-5.ALPHA.-PREGNANE-20-ONE

Systematic Name

English

3.BETA.-ALLOTETRAHYDROCORTICOSTERONE

Common Name

English

SUBSTANCE R

Common Name

English

Classification Tree Code System Code

LOINC

82849-1