CAS 873001-54-8|3,29-Dibenzoyl karounitriol

Introduction：Basic information about CAS 873001-54-8|3,29-Dibenzoyl karounitriol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 3,29-Dibenzoyl karounitriol BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	3,29-Dibenzoyl karounitriol
CAS Number	873001-54-8	Molecular Weight	666.928
Density	1.2±0.1 g/cm3	Boiling Point	706.5±60.0 °C at 760 mmHg
Molecular Formula	C₄₄H₅₈O₅	Melting Point	162-164ºC
MSDS	/	Flash Point	203.9±26.4 °C

Names

Name	3,29-Dibenzoyl rarounitriol
Synonym	More Synonyms

3,29-Dibenzoyl karounitriol BiologicalActivity

Description	3,29-Dibenzoyl rarounitriol is one major bioactive compound of multiflorane triterpene esters Trichosanthes kirilowii, can be chosen as the marker for quantitation of Trichosanthes kirilowii[1].
Related Catalog	Research Areas >>OthersSignaling Pathways >>Others >>Others
References	[1]. Zhao C, et al. A rapid and sensitive LC-MS/MS method for quantification of 3,29-dibenzoyl rarounitriol in rat plasma: application to a pharmacokinetic study. Biomed Chromatogr. 2015 Aug;29(8):1229-34.

Chemical & Physical Properties

Density	1.2±0.1 g/cm3
Boiling Point	706.5±60.0 °C at 760 mmHg
Melting Point	162-164ºC
Molecular Formula	C₄₄H₅₈O₅
Molecular Weight	666.928
Flash Point	203.9±26.4 °C
Exact Mass	666.428406
PSA	72.83000
LogP	13.08
Vapour Pressure	0.0±2.4 mmHg at 25°C
Index of Refraction	1.591
InChIKey	ZRKGVMOZKMBTHF-DUVCPVCPSA-N
SMILES	CC1(COC(=O)c2ccccc2)CCC2(C)CCC3(C)C4=C(CCC3(C)C2C1)C1(C)CCC(OC(=O)c2ccccc2)C(C)(C)C1CC4O
Storage condition	2~8℃

Safety Information

Hazard Codes	Xi

Synonyms

[(2R,4aS,6aS,7S,8aR,10R,12aS,14aS,14bR)-10-(Benzoyloxy)-7-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydro-2-picenyl]methyl benzoate

3,6-Picenediol, 11-[(benzoyloxy)methyl]-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-eicosahydro-4,4,6b,8a,11,12b,14b-heptamethyl-, 3-benzoate, (3R,4aR,6S,6bS,8aS,11R,12aR,12bS,14bS)-

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