Beta-solamarine

Catalog Number	ACM3671383
CAS Number	3671-38-3
Structure
Synonyms	(22S,25S)-3β-[[2-O,4-O-Bis(α-L-rhamnopyranosyl)-β-D-glucopyranosyl]oxy]-22,26-epiminofurosta-5-ene
Molecular Weight	868.1
InChI	InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1
InChI Key	MBWUSSKCCUMJHO-SXCAMOPPSA-N
Purity	95%+
Complexity	1610
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	26
Exact Mass	867.49802062
Heavy Atom Count	61
Hydrogen Bond Acceptor Count	16
Hydrogen Bond Donor Count	9
Isomeric SMILES	C[C@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)NC1
Monoisotopic Mass	867.49802062
PhysicalState	Powder
Rotatable Bond Count	7
Topological Polar Surface Area	239 Ų

Custom Q&A

What is the chemical formula for beta-solamarine?

The chemical formula for beta-solamarine is C45H73NO15.

What is the molecular weight of beta-solamarine?

The molecular weight of beta-solamarine is 868.07.

What is the melting point of beta-solamarine and in what solvents does it decompose?

The melting point of beta-solamarine is 275-277 °C, and it decomposes in methanol and acetone.

What is the density of beta-solamarine?

The density of beta-solamarine is 1.38±0.1 g/cm3.

What is the pka value of beta-solamarine?

The pka value of beta-solamarine is 12?+-0.70.

What is the synonym for beta-solamarine that describes its chemical structure?

A synonym for beta-solamarine is (22S,25S)-3β-[[2-O,4-O-Bis(α-L-rhamnopyranosyl)-β-D-glucopyranosyl]oxy]-22,26-epiminofurosta-5-ene.

What is the definition of beta-solamarine according to ChEBI?

Beta-Solamarine is defined as a steroid saponin.

What type of compound is beta-solamarine?

Beta-Solamarine is a steroid saponin.

What are some of the common uses of beta-solamarine?

Beta-Solamarine can be used in various synthesis processes, likely due to its steroid saponin properties.

What are some of the predicted properties of beta-solamarine based on its chemical structure?

Some predicted properties of beta-solamarine are its melting point, density, and pka value.

※ Please kindly note that our products are for research use only.