ENOXOLONE ALUMINUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	3C30H45O4.Al
Molecular Weight	1436.0092
Optical Activity	UNSPECIFIED
Defined Stereocenters	27 / 27
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Al+3].CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C([O-])=O.CC6(C)[C@@H](O)CC[C@@]7(C)[C@H]6CC[C@]8(C)[C@@H]7C(=O)C=C9[C@@H]%10C[C@](C)(CC[C@]%10(C)CC[C@@]89C)C([O-])=O.CC%11(C)[C@@H](O)CC[C@@]%12(C)[C@H]%11CC[C@]%13(C)[C@@H]%12C(=O)C=C%14[C@@H]%15C[C@](C)(CC[C@]%15(C)CC[C@@]%13%14C)C([O-])=O

InChI

InChIKey=JIQUHOXNCWKESF-UBYPFOLZSA-K

InChI=1S/3C30H46O4.Al/c3*1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6;/h3*16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34);/q;;;+3/p-3/t3*19-,21-,22-,23+,26+,27-,28-,29+,30+;/m000./s1

HIDE SMILES / InChI

Molecular Formula	C30H45O4
Molecular Weight	469.6759
Charge	-1
Count

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

Molecular Formula	Al
Molecular Weight	26.9815386
Charge	3
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:02:19 GMT 2025` Edited by `admin` on `Mon Mar 31 19:02:19 GMT 2025`
Record UNII	E3P03E2A65
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ENOXOLONE ALUMINUM

Common Name

English

ENOXOLONE ALUMINATE

Preferred Name

English

Enoxolone aluminate [WHO-DD]

Common Name

English

OLEAN-12-EN-29-OIC ACID, 3-HYDROXY-11-OXO-, ALUMINUM SALT (3:1), (3.BETA.,20.BETA.)-

Systematic Name

English

Code System Code Type Description

EVMPD

SUB01891MIG