Solamargine

Catalog Number	ACM20311517
CAS Number	20311-51-7
Structure
Synonyms	α-Solamargine
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-/m1/s1
InChI Key	MBWUSSKCCUMJHO-ZGXDEBHDSA-N
Melting Point	301 °C
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 product name of solamargine?

The product name of solamargine is solamargine.

What are some synonyms for solamargine?

Some synonyms for solamargine are alpha-Solamarin, alpha-Solamarine, and [(22S,25S)-Spirosol-5-en-3β-yl]2-O-(6-deoxy-α-L-mannopyranosyl)-3-O-(β-D-glucopyranosyl)-β-D-galactopyranoside.

What is the CAS number for solamargine?

The CAS number for solamargine is 20318-30-3.

What is the molecular formula of solamargine?

The molecular formula of solamargine is C45H73NO16.

What is the molecular weight of solamargine?

The molecular weight of solamargine is 884.07.

At what temperature does solamargine melt?

Solamargine melts at 278-281°C (dec.) in methanol acetone.

What is the density of solamargine at 20°C and 760 Torr?

The density of solamargine is 1.42±0.1 g/cm3 at 20°C and 760 Torr.

What is the pka value of solamargine?

The pka value of solamargine is 12.78±0.70 (Predicted).

From where was solamargine first isolated?

Solamargine was first isolated from Solanum marginatum.

What is the main usage of solamargine?

Solamargine is a natural steroidal glycoalkaloid that produces a mild secondary effect through corticoids produced in the adrenal glands.

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