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Withanolide L

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Name

Withanolide L

EINECS
CAS No. 50932-24-6 Density 1.24 g/cm3
Solubility Melting Point
Formula C28H36O5 Boiling Point 643.8 °C at 760 mmHg
Molecular Weight 452.58 Flash Point 213.4 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 50932-24-6 (Withanolide L) Hazard Symbols
Synonyms

Ergosta-2,5,14,24-tetraen-26-oic acid,17,20,22-trihydroxy-1-oxo-,?-lactone,(22R)-;(6R)-6-[(1S)-1-hydroxy-1-[(8R,9S,10R,13S,17R)-17-hydroxy-10,13-dimethyl-1-oxo-7,8,9,11,12,16-hexahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-3,4-dimethyl-5,6-dihydropyran-2-one;

 

Withanolide L Specification

This chemical is called Withanolide L, and its systematic name is (22R)-17,20-dihydroxy-22,26-epoxyergosta-2,5,14,24-tetraene-1,26-dione. With the molecular formula of C28H36O5, its molecular weight is 452.58. The CAS registry number of this chemical is 50932-24-6.

Other characteristics of the Withanolide L can be summarised as followings: (1)ACD/LogP: 3.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.73; (4)ACD/LogD (pH 7.4): 3.73; (5)ACD/BCF (pH 5.5): 402.81; (6)ACD/BCF (pH 7.4): 402.81; (7)ACD/KOC (pH 5.5): 2548.81; (8)ACD/KOC (pH 7.4): 2548.81; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 61.83 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 125.22 cm3; (15)Molar Volume: 363.5 cm3; (16)Polarizability: 49.64×10-24cm3; (17)Surface Tension: 53.5 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 213.4 °C; (20)Enthalpy of Vaporization: 108.81 kJ/mol; (21)Boiling Point: 643.8 °C at 760 mmHg; (22)Vapour Pressure: 2.73E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C5\C=C/C/C4=C/C[C@H]3/C2=C/C[C@](O)([C@](O)(C)[C@@H]1OC(=O)\C(=C(\C)C1)C)[C@@]2(C)CC[C@@H]3[C@]45C
2.InChI: InChI=1/C28H36O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)28(32)14-12-20-19-10-9-18-7-6-8-22(29)26(18,4)21(19)11-13-25(20,28)3/h6,8-9,12,19,21,23,31-32H,7,10-11,13-15H2,1-5H3/t19-,21-,23+,25-,26-,27-,28+/m0/s1
3.InChIKey: KVOUREBSNXETJF-UUKUVDNFBU

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