ACETOXOLONE ALUMINUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	3C32H47O5.Al
Molecular Weight	1562.1193
Optical Activity	UNSPECIFIED
Defined Stereocenters	27 / 27
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Al+3].[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]3(C)C2=CC(=O)[C@]4([H])[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@]5([H])CC[C@@]34C)C([O-])=O.[H][C@@]67C[C@](C)(CC[C@]6(C)CC[C@]8(C)C7=CC(=O)[C@]9([H])[C@@]%10(C)CC[C@H](OC(C)=O)C(C)(C)[C@]%10([H])CC[C@@]89C)C([O-])=O.[H][C@@]%11%12C[C@](C)(CC[C@]%11(C)CC[C@]%13(C)C%12=CC(=O)[C@]%14([H])[C@@]%15(C)CC[C@H](OC(C)=O)C(C)(C)[C@]%15([H])CC[C@@]%13%14C)C([O-])=O

InChI

InChIKey=FJVOAGWAAYLCGO-OIODSIPPSA-K

InChI=1S/3C32H48O5.Al/c3*1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7;/h3*17,21,23-25H,9-16,18H2,1-8H3,(H,35,36);/q;;;+3/p-3/t3*21-,23-,24-,25+,28+,29-,30-,31+,32+;/m000./s1

HIDE SMILES / InChI

Molecular Formula	Al
Molecular Weight	26.9815
Charge	3
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C32H47O5
Molecular Weight	511.7126
Charge	-1
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 17:16:57 UTC 2023` Edited by `admin` on `Fri Dec 15 17:16:57 UTC 2023`
Record UNII	85RP28F39U
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ACETOXOLONE ALUMINUM

Common Name

English

ALMICET

Brand Name

English

ACETOXOLONE ALUMINUM SALT [MI]

Common Name

English

ALMACET

Brand Name

English

ORIENS

Common Name

English

ALUMINIUM TRIS(3-ACETYL-18.BETA.-GLYCYRRHETINATE)

Common Name

English

ALUMINUM TRIS(3-ACETYL-18.BETA.-GLYCYRRHETINATE)

Common Name

English

ACETOXOLONE ALUMINUM SALT

Common Name

English

ACETOXOLONE ALUMINIUM SALT

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29701