9-FLUORO-11,21-DIHYDROXY-16-METHYL-17-((1-OXOPENTYL)OXY)PREGNANE-3,20-DIONE, (5.BETA.,11.BETA.,16.BETA.)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H41FO6
Molecular Weight	480.6092
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 9-FLUORO-11,21-DIHYDROXY-16-METHYL-17-((1-OXOPENTYL)OXY)PREGNANE-3,20-DIONE, (5.BETA.,11.BETA.,16.BETA.)-

Structure Search

SMILES

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

InChI

InChIKey=BODNSZUVOINEPG-XFUDVEFMSA-N

InChI=1S/C27H41FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h16-17,19-21,29,31H,5-15H2,1-4H3/t16-,17+,19-,20-,21-,24-,25-,26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H41FO6
Molecular Weight	480.6092
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 `Fri Dec 15 15:14:46 GMT 2023` Edited by `admin` on `Fri Dec 15 15:14:46 GMT 2023`
Record UNII	40B174HC2M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

9-FLUORO-11,21-DIHYDROXY-16-METHYL-17-((1-OXOPENTYL)OXY)PREGNANE-3,20-DIONE, (5.BETA.,11.BETA.,16.BETA.)-

Systematic Name

English

PREGNANE-3,20-DIONE, 9-FLUORO-11,21-DIHYDROXY-16-METHYL-17-((1-OXOPENTYL)OXY)-, (5.BETA.,11.BETA.,16.BETA.)-

Systematic Name

English

Code System Code Type Description

FDA UNII

40B174HC2M

Created by admin on Fri Dec 15 15:14:46 GMT 2023 , Edited by admin on Fri Dec 15 15:14:46 GMT 2023

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CAS

80163-90-2

Created by admin on Fri Dec 15 15:14:46 GMT 2023 , Edited by admin on Fri Dec 15 15:14:46 GMT 2023

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PUBCHEM

12848863

Created by admin on Fri Dec 15 15:14:46 GMT 2023 , Edited by admin on Fri Dec 15 15:14:46 GMT 2023

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