3?H-Cyclopropa[6,7]pregna-1,4,6-triene-3,20-dione, 3?,3?-difluoro-6?,7?-dihydro-11?,21-dihydroxy-16?-methyl-, 21-acetate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H30F2O5
Molecular Weight	448.4995
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3?H-Cyclopropa[6,7]pregna-1,4,6-triene-3,20-dione, 3?,3?-difluoro-6?,7?-dihydro-11?,21-dihydroxy-16?-methyl-, 21-acetate

Structure Search

SMILES

C[C@@H]1C[C@H]2[C@@H]3[C@H]4[C@@H](C5=CC(=O)C=C[C@]5(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(C)=O)C4(F)F

InChI

InChIKey=BXADDOYDYDPWEB-BSWZIWPKSA-N

InChI=1S/C25H30F2O5/c1-11-7-14-18-21(16(30)9-24(14,4)19(11)17(31)10-32-12(2)28)23(3)6-5-13(29)8-15(23)20-22(18)25(20,26)27/h5-6,8,11,14,16,18-22,30H,7,9-10H2,1-4H3/t11-,14+,16+,18+,19-,20-,21+,22+,23+,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H30F2O5
Molecular Weight	448.4995
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:57:59 GMT 2025` Edited by `admin` on `Mon Mar 31 17:57:59 GMT 2025`
Record UNII	WN4H9P4H2P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3?H-Cyclopropa[6,7]pregna-1,4,6-triene-3,20-dione, 3?,3?-difluoro-6?,7?-dihydro-11?,21-dihydroxy-16?-methyl-, 21-acetate

Preferred Name

English

Code System Code Type Description

FDA UNII

WN4H9P4H2P

Created by admin on Mon Mar 31 17:57:59 GMT 2025 , Edited by admin on Mon Mar 31 17:57:59 GMT 2025

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CAS

23139-46-0

Created by admin on Mon Mar 31 17:57:59 GMT 2025 , Edited by admin on Mon Mar 31 17:57:59 GMT 2025

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