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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H38O6
Molecular Weight	434.5656
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 3,21-DIACETATE

Structure Search

SMILES

CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)OC(C)=O

InChI

InChIKey=WBZYOPMJAOANPU-HNOHUYCESA-N

InChI=1S/C25H38O6/c1-14(26)30-13-22(29)20-8-7-19-18-6-5-16-11-17(31-15(2)27)9-10-24(16,3)23(18)21(28)12-25(19,20)4/h16-21,23,28H,5-13H2,1-4H3/t16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H38O6
Molecular Weight	434.5656
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 21:05:13 GMT 2025` Edited by `admin` on `Mon Mar 31 21:05:13 GMT 2025`
Record UNII	064950K11A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

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

Preferred Name

English

PREGNAN-20-ONE, 3,21-BIS(ACETYLOXY)-11-HYDROXY-, (3.BETA.,5.ALPHA.,11.BETA.)-

Systematic Name

English

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

Common Name

English

Code System Code Type Description

FDA UNII

064950K11A