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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H36O7
Molecular Weight	448.5491
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 3,21-DIACETATE

Structure Search

SMILES

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

InChI

InChIKey=PXQRJZNDFRAFTF-IPRRWUCRSA-N

InChI=1S/C25H36O7/c1-14(26)31-13-21(29)25(30)10-8-19-18-6-5-16-11-17(32-15(2)27)7-9-23(16,3)22(18)20(28)12-24(19,25)4/h16-19,22,30H,5-13H2,1-4H3/t16-,17-,18-,19-,22+,23-,24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H36O7
Molecular Weight	448.5491
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 `Sat Dec 16 18:52:29 GMT 2023` Edited by `admin` on `Sat Dec 16 18:52:29 GMT 2023`
Record UNII	1EPA6JH2CY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

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

Systematic Name

English

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

Common Name

English

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

Systematic Name

English

PREGNANE-11,20-DIONE, 3,21-BIS(ACETYLOXY)-17-HYDROXY-, (3.BETA.,5.ALPHA.)-

Systematic Name

English

Code System Code Type Description

CAS

4986-95-2