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Acetoxolone

Molecular FormulaC₃₂H₄₈O₅
Average mass512.721 Da
Monoisotopic mass512.350159 Da
ChemSpider ID85123

- 9 of 9 defined stereocentres

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Featured data source

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3b,20b)-3-(Acetyloxy)-11-oxoolean-12-en-29-oic acid

(3β)-3-(acetyloxy)-11-oxoolean-12-en-30-oic acid

(3β)-3-Acetoxy-11-oxoolean-12-en-30-oic acid [ACD/IUPAC Name]

(3β)-3-Acetoxy-11-oxoolean-12-en-30-säure [German] [ACD/IUPAC Name]

249-815-5 [EINECS]

3b-Hydroxy-11-oxoolean-12-en-30-oic Acid Acetate

3-O-Acetyl-18b-glycyrrhetic Acid

3-O-Acetyl-18b-glycyrrhetinic acid

6277-14-1 [RN]

Acetoxolone [Wiki]

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Acetylglycyrrhetic acid

acetylglycyrrhetinic acid

Acide (3β)-3-acétoxy-11-oxooléan-12-én-30-oïque [French] [ACD/IUPAC Name]

CWW961Q19K

Glycyrrhetic acid acetate

Olean-12-en-30-oic acid, 3-(acetyloxy)-11-oxo-, (3β)- [ACD/Index Name]

(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-acetoxy-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-acetoxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid

(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid(WXG03296)

(3-β,20-β)-3-(Acetyloxy)-11-oxo-olean-12-en-29-oic acid

(3β,20β)-3-Acetoxy-11-oxoolean-12-en-29-oic acid

10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

3-Acetyl-18-β-glycyrrhetinic acid

Carbenoxolone [INN] [Wiki]

CBO

CHEMBL207413

EINECS 228-475-1

Glycyrrhetinic acid acetate

Glycyrrhetinyl acetate

Olean-12-en-29-oic acid, 3-(acetyloxy)-11-oxo-, (3-β,20-β)-

Olean-12-en-30-oic acid, 3-β-hydroxy-11-oxo-, acetate (7CI,8CI)

UNII:CWW961Q19K

UNII-CWW961Q19K

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC 35349 [DBID]

NSC35349 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.1±0.1 g/cm³
Boiling Point:	597.0±50.0 °C at 760 mmHg
Vapour Pressure:	0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization:	97.1±6.0 kJ/mol
Flash Point:	183.1±23.6 °C
Index of Refraction:	1.551
Molar Refractivity:	143.3±0.4 cm³
#H bond acceptors:	5
#H bond donors:	1
#Freely Rotating Bonds:	3
#Rule of 5 Violations:	2

ACD/LogP:	7.47
ACD/LogD (pH 5.5):	6.46
ACD/BCF (pH 5.5):	29917.58
ACD/KOC (pH 5.5):	31769.99
ACD/LogD (pH 7.4):	4.66
ACD/BCF (pH 7.4):	474.23
ACD/KOC (pH 7.4):	503.59
Polar Surface Area:	81 Å²
Polarizability:	56.8±0.5 10^-24cm³
Surface Tension:	46.1±5.0 dyne/cm
Molar Volume:	449.4±5.0 cm³

Click to predict properties on the Chemicalize site

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Acetoxolone

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