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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H38O6
Molecular Weight	434.5656
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-20-ONE 3,21-DIACETATE

Structure Search

SMILES

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

InChI

InChIKey=DQHCVJQZPHDDTB-XQGASDRYSA-N

InChI=1S/C25H38O6/c1-15(26)30-14-22(28)25(29)12-9-21-19-6-5-17-13-18(31-16(2)27)7-10-23(17,3)20(19)8-11-24(21,25)4/h17-21,29H,5-14H2,1-4H3/t17-,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	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:34:44 GMT 2023` Edited by `admin` on `Fri Dec 15 16:34:44 GMT 2023`
Record UNII	U85HY15O9P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

PREGNAN-20-ONE, 3,21-BIS(ACETYLOXY)-17-HYDROXY-, (3.BETA.,5.ALPHA.)-

Systematic Name

English

(+)-ALLOPREGNANE-3.BETA.,17.ALPHA.,21-TRIOL-20-ONE 3,21-DIACETATE

Common Name

English

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

Common Name

English

5.ALPHA.-PREGNAN-20-ONE, 3.BETA.,17,21-TRIHYDROXY-, 3,21-DIACETATE

Systematic Name

English

Code System Code Type Description

FDA UNII

U85HY15O9P

Created by admin on Fri Dec 15 16:34:44 GMT 2023 , Edited by admin on Fri Dec 15 16:34:44 GMT 2023

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MERCK INDEX

m18

Created by admin on Fri Dec 15 16:34:44 GMT 2023 , Edited by admin on Fri Dec 15 16:34:44 GMT 2023

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Merck Index

PUBCHEM

53235912

Created by admin on Fri Dec 15 16:34:44 GMT 2023 , Edited by admin on Fri Dec 15 16:34:44 GMT 2023

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CAS

6003-22-1

Created by admin on Fri Dec 15 16:34:44 GMT 2023 , Edited by admin on Fri Dec 15 16:34:44 GMT 2023

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