6,7-Dehydro prednisolone 21-acetate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H28O6
Molecular Weight	400.4648
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6,7-Dehydro prednisolone 21-acetate

Structure Search

SMILES

[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])C=CC4=CC(=O)C=C[C@]34C

InChI

InChIKey=HOYYRILTTRZHTJ-JZYPGELDSA-N

InChI=1S/C23H28O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h4-6,8,10,16-18,20,26,28H,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H28O6
Molecular Weight	400.4648
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:48:59 GMT 2023` Edited by `admin` on `Sat Dec 16 19:48:59 GMT 2023`
Record UNII	SK3PYA658V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6,7-Dehydro prednisolone 21-acetate

Common Name

English

2-((8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-8,9,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate

Systematic Name

English

Pregna-1,4,6-triene-3,20-dione, 11β,17,21-trihydroxy-, 21-acetate

Systematic Name

English

Pregna-1,4,6-triene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11β)-

Systematic Name

English

Code System Code Type Description

FDA UNII

SK3PYA658V

Created by admin on Sat Dec 16 19:48:59 GMT 2023 , Edited by admin on Sat Dec 16 19:48:59 GMT 2023

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PUBCHEM

18594066

Created by admin on Sat Dec 16 19:48:59 GMT 2023 , Edited by admin on Sat Dec 16 19:48:59 GMT 2023

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CAS

2427-45-4

Created by admin on Sat Dec 16 19:48:59 GMT 2023 , Edited by admin on Sat Dec 16 19:48:59 GMT 2023

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