ALLOPREGNANE-3.BETA.,17.ALPHA.,21-TRIOL-11,20-DIONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H32O5
Molecular Weight	364.4758
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALLOPREGNANE-3.BETA.,17.ALPHA.,21-TRIOL-11,20-DIONE

Structure Search

SMILES

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

InChI

InChIKey=SYGWGHVTLUBCEM-SDYDLROXSA-N

InChI=1S/C21H32O5/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/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14-,15-,18+,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	8 / 8
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	Y40T47207F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALLOPREGNANE-3.BETA.,17.ALPHA.,21-TRIOL-11,20-DIONE

Common Name

English

REICHSTEIN'S SUBSTANCE D

Common Name

English

5.ALPHA.-PREGNANE-11,20-DIONE, 3.BETA.,17,21-TRIHYDROXY-

Systematic Name

English

PREGNANE-11,20-DIONE, 3,17,21-TRIHYDROXY-, (3.BETA.,5.ALPHA.)-

Systematic Name

English

KENDALL'S COMPOUND G

Common Name

English

ALLOPREGNANE-3.BETA.,17.ALPHA.,21-TRIOL-11,20-DIONE [MI]

Common Name

English

WINTERSTEINER'S COMPOUND B

Common Name

English

3.BETA.,17.ALPHA.,21-TRIHYDROXY-5.ALPHA.-PREGNANE-11,20-DIONE

Common Name

English

3.BETA.,17,21-TRIHYDROXY-5.ALPHA.-PREGNANE-11,20-DIONE

Systematic Name

English

Code System Code Type Description

FDA UNII

Y40T47207F