SODIUM URSOLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H47O3.Na
Molecular Weight	478.6821
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C([O-])=O)[C@@]1(C)CC[C@H](O)C2(C)C

InChI

InChIKey=DUAZSEDLBBRXQJ-ANQQBNRBSA-M

InChI=1S/C30H48O3.Na/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7;/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33);/q;+1/p-1/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Molecular Formula	C30H47O3
Molecular Weight	455.6924
Charge	-1
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 `Sat Dec 16 01:48:52 UTC 2023` Edited by `admin` on `Sat Dec 16 01:48:52 UTC 2023`
Record UNII	NV5D25VL1O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM URSOLATE

Official Name

English

URS-12-EN-28-OIC ACID, 3-HYDROXY-, SODIUM SALT (1:1), (3.BETA.)-

Common Name

English

URS-12-3EN-28-OIC ACID, 3-HYDROXY-, MONOSODIUM SALT, (3-.BETA.)-

Common Name

English

SODIUM URSOLATE [INCI]

Common Name

English

DUBOISIA URSOLIC ACID, SODIUM SALT, PREMIER

Brand Name

English

Code System Code Type Description

PUBCHEM

71587647