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21,23:24,25-Diepoxy-21,23-dimethoxytirucall-7-en-3-one

CAS# 1351617-74-7

21,23:24,25-Diepoxy-21,23-dimethoxytirucall-7-en-3-one

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Chemical structure

21,23:24,25-Diepoxy-21,23-dimethoxytirucall-7-en-3-one

3D structure

Chemical Properties of 21,23:24,25-Diepoxy-21,23-dimethoxytirucall-7-en-3-one

Cas No. 1351617-74-7 SDF Download SDF
PubChem ID 56838493 Appearance Powder
Formula C32H50O5 M.Wt 514.8
Type of Compound Triterpenoids Storage Desiccate at -20°C
Solubility Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
Chemical Name (5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2,5-dimethoxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
SMILES CC1(C2CC=C3C(C2(CCC1=O)C)CCC4(C3(CCC4C5CC(OC5OC)(C6C(O6)(C)C)OC)C)C)C
Standard InChIKey JVUGRGHUBITBGR-ICHSNPBQSA-N
Standard InChI InChI=1S/C32H50O5/c1-27(2)23-11-10-22-21(29(23,5)15-14-24(27)33)13-17-30(6)20(12-16-31(22,30)7)19-18-32(35-9,36-25(19)34-8)26-28(3,4)37-26/h10,19-21,23,25-26H,11-18H2,1-9H3/t19-,20-,21-,23-,25+,26-,29+,30-,31+,32+/m0/s1
General tips For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months.
We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months.
Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it.
About Packaging 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial.
2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial.
3. Try to avoid loss or contamination during the experiment.
Shipping Condition Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request.

Source of 21,23:24,25-Diepoxy-21,23-dimethoxytirucall-7-en-3-one

The herbs of Amoora dasyclada

21,23:24,25-Diepoxy-21,23-dimethoxytirucall-7-en-3-one Dilution Calculator

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21,23:24,25-Diepoxy-21,23-dimethoxytirucall-7-en-3-one Molarity Calculator

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Preparing Stock Solutions of 21,23:24,25-Diepoxy-21,23-dimethoxytirucall-7-en-3-one

1 mg 5 mg 10 mg 20 mg 25 mg
1 mM 1.9425 mL 9.7125 mL 19.425 mL 38.85 mL 48.5625 mL
5 mM 0.3885 mL 1.9425 mL 3.885 mL 7.77 mL 9.7125 mL
10 mM 0.1943 mL 0.9713 mL 1.9425 mL 3.885 mL 4.8563 mL
50 mM 0.0389 mL 0.1943 mL 0.3885 mL 0.777 mL 0.9713 mL
100 mM 0.0194 mL 0.0971 mL 0.1943 mL 0.3885 mL 0.4856 mL
* Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations.

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References on 21,23:24,25-Diepoxy-21,23-dimethoxytirucall-7-en-3-one

Crystal structure of (acetato-kappaO)(ethanol-kappaO)[(9S,17S,21S,29S)-9,17,21,29-tetra-hydroxy-18,30- dioxa-octa-cyclo-[18.10.0.0(2,7).0(8,19).0(9,17).0(11,16).0(21,29).0(23,28)]triac onta-1,3,5,7,11(16),12,14,19,23(28),24,26-undeca-ene-10,22-dione-kappa(3) O (18),O (21),O (22)]caesium ethanol monosolvate.[Pubmed:27555923]

Acta Crystallogr E Crystallogr Commun. 2016 Jun 3;72(Pt 7):884-7.

The title compound, [Cs(CH3COO)(C28H16O8)(C2H5OH)].C2H5OH, is the product of the complexation between one vasarene analogue [1], bis ninhydrin naphthalene-1,3-diol and CsF, where the F(-) ion has reacted with residual acetic acid (AcOH), to form a [1].CsOAc complex. The inter-molecular inter-actions with the multiple oxygen-containing functional groups of the ligand, as well as O-Hcdots, three dots, centeredO hydrogen bonds involving the ethanol solvent mol-ecules, stabilize the complex, forming a chain along [100]. Additional parallel-displaced pi-pi stacking, with an inter-planar distance of 3.669 (1) A, connect several unit cells in a three-dimensional supra-molecular structure, though, the larger size of AcO(-) (1.60 A) compared to F(-) (1.33 A) prevents the tight packing that was once achieved with other vasarene complexes of CsF.

Crystal structure of 26-(4-methyl-phen-yl)-8,11,14,17-tetra-oxa-28-aza-tetra-cyclo[22.3.1.0(2,7).0(18, 23)]hexa-cosa-2,4,6,18(23),19,21,24(1),25,27-nona-ene.[Pubmed:27308014]

Acta Crystallogr E Crystallogr Commun. 2016 Apr 12;72(Pt 5):663-6.

The title compound, C30H29NO4, is a tetra-cyclic system containing a 4-aryl-pyridine fragment, two benzene rings and an aza-17-crown-5 ether moiety, in a bowl-like arrangement. The pyridine ring is inclined to the 4-methyl-phenyl ring by 26.64 (6) degrees , and by 57.43 (6) and 56.81 (6) degrees to the benzene rings. The benzene rings are inclined to one another by 88.32 (6) degrees . In the crystal, mol-ecules are linked by pairs of C-Hcdots, three dots, centeredN hydrogen bonds, forming inversion dimers with an R 2 (2)(14) ring motif. The dimers are linked via a number of C-Hcdots, three dots, centeredpi inter-actions, forming a three-dimensional architecture.

Bis(benzyl-tri-methyl-ammonium) bis-[(4SR,12SR,18RS,26RS)-4,18,26-trihy-droxy-12-oxido-13,17-dioxahepta-cyclo-[14 .10.0.0(3,14).0(4,12).0(6,11).0(18,26).0(19,24)]hexa-cosa-1,3(14),6,8,10,15,19,21 ,23-nona-ene-5,25-dione] sesquihydrate: dimeric structure formation via [O-H-O](-) negative charge-assisted hydrogen bonds (-CAHB) with benzyl-tri-methyl-ammonium counter-ions.[Pubmed:27006816]

Acta Crystallogr E Crystallogr Commun. 2016 Feb 24;72(Pt 3):399-402.

The reaction between bis-ninhydrin resorcinol and benzyl-tri-methyl-ammonium fluoride in ethanol has produced the title compound, 2C10H16N(+).2C24H13O8 (-).1.5H2O, which contains a unique centrosymmetric supra-molecular dimeric entity, where two deprotonated ligands are held together via two strong and short [Ocdots, three dots, centeredO = 2.4395 (13) A] [O-H-O](-) bonds of the type negative charge-assisted hydrogen bonds (-CAHB). The central aromatic rings of the ligands create parallel-displaced pi-pi stacking at an inter-planar distance of 3.381 (1) A, which helps stabilize the dimer. In the crystal, two symmetry-related solvent water mol-ecules with a site occupancy of 0.75 are attached to the carbonyl groups of the dimer by weaker O-Hcdots, three dots, centeredO hydrogen bonds, forming chains along [101].

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