ALLOPREGNANE-3.BETA.,20.BETA.-DIOL DIACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H40O4
Molecular Weight	404.5827
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALLOPREGNANE-3.BETA.,20.BETA.-DIOL DIACETATE

Structure Search

SMILES

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

InChI

InChIKey=VDZDKQBSTYNFGG-ILKYCFRXSA-N

InChI=1S/C25H40O4/c1-15(28-16(2)26)21-8-9-22-20-7-6-18-14-19(29-17(3)27)10-12-24(18,4)23(20)11-13-25(21,22)5/h15,18-23H,6-14H2,1-5H3/t15-,18+,19+,20+,21-,22+,23+,24+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H40O4
Molecular Weight	404.5827
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 `Sat Dec 16 08:10:20 GMT 2023` Edited by `admin` on `Sat Dec 16 08:10:20 GMT 2023`
Record UNII	3N6I9ZE156
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALLOPREGNANE-3.BETA.,20.BETA.-DIOL DIACETATE

Common Name

English

PREGNANE-3,20-DIOL, DIACETATE, (3.BETA.,5.ALPHA.,20R)-

Systematic Name

English

ALLOPREGNANE-3.BETA.,20.BETA.-DIOL DIACETATE [MI]

Common Name

English

Code System Code Type Description

CAS

6057-94-9

Created by admin on Sat Dec 16 08:10:20 GMT 2023 , Edited by admin on Sat Dec 16 08:10:20 GMT 2023

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FDA UNII

3N6I9ZE156

Created by admin on Sat Dec 16 08:10:20 GMT 2023 , Edited by admin on Sat Dec 16 08:10:20 GMT 2023

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PUBCHEM

111163

Created by admin on Sat Dec 16 08:10:20 GMT 2023 , Edited by admin on Sat Dec 16 08:10:20 GMT 2023

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MERCK INDEX

m1532

Created by admin on Sat Dec 16 08:10:20 GMT 2023 , Edited by admin on Sat Dec 16 08:10:20 GMT 2023

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Merck Index