PREDNISOLONE TETRAHYDROPHTHALATE

Details

Stereochemistry	MIXED
Molecular Formula	C29H36O8
Molecular Weight	512.5913
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PREDNISOLONE TETRAHYDROPHTHALATE

Structure Search

SMILES

[H][C@@]12CC[C@](O)(C(=O)COC(=O)C3CC=CCC3C(O)=O)[C@@]1(C)C[C@H](O)[C@@]4([H])[C@@]2([H])CCC5=CC(=O)C=C[C@]45C

InChI

InChIKey=VNGWBSXDGQZSFL-JMNKBGBLSA-N

InChI=1S/C29H36O8/c1-27-11-9-17(30)13-16(27)7-8-20-21-10-12-29(36,28(21,2)14-22(31)24(20)27)23(32)15-37-26(35)19-6-4-3-5-18(19)25(33)34/h3-4,9,11,13,18-22,24,31,36H,5-8,10,12,14-15H2,1-2H3,(H,33,34)/t18?,19?,20-,21-,22-,24+,27-,28-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H36O8
Molecular Weight	512.5913
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	7 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:10:02 UTC 2023` Edited by `admin` on `Sat Dec 16 18:10:02 UTC 2023`
Record UNII	CWC6VV5V7N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PREDNISOLONE TETRAHYDROPHTHALATE

Common Name

English

PREGNA-1,4-DIENE-3,20-DIONE, 21-(((6-CARBOXY-3-CYCLOHEXEN-1-YL)CARBONYL)OXY)-11,17-DIHYDROXY-, (11.BETA.)-

Systematic Name

English

PREGNA-1,4-DIENE-3,20-DIONE, 11.BETA.,17,21-TRIHYDROXY-, 21-ESTER WITH 4-CYCLOHEXENE-1,2-DICARBOXYLIC ACID

Common Name

English

PREGNA-1,4-DIENE-3,20-DIONE, 11.BETA.,17,21-TRIHYDROXY-, 21-(HYDROGEN 4-CYCLOHEXENE-1,2-DICARBOXYLATE)

Systematic Name

English

Code System Code Type Description

FDA UNII

CWC6VV5V7N