Spirostan-12-one, 3-((4-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy)-, (3-beta,5-alpha,25R)-

Base Information

• Chemical Name: Spirostan-12-one, 3-((4-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy)-, (3-beta,5-alpha,25R)-
• CAS No.: 56857-66-0
• Deprecated CAS: 75216-37-4
• Molecular Formula: C39H62O14
• Molecular Weight: 754.9
• DSSTox Substance ID: DTXSID90972282
• Wikidata: Q82956015
• Mol file: 56857-66-0.mol

Synonyms:Agavoside B;56857-66-0;(1R,2S,4S,5'R,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one;Spirostan-12-one, 3-((4-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy)-, (3-beta,5-alpha,25R)-;C39H62O14;C39-H62-O14;DTXSID90972282;CHEBI:189912;LS-146347;12-Oxospirostan-3-yl 4-O-hexopyranosylhexopyranoside

Chemical Property of Spirostan-12-one, 3-((4-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy)-, (3-beta,5-alpha,25R)-

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.611
• Boiling Point: 892.2°C at 760 mmHg
• Flash Point: 268.9°C
• Density: 1.4g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 754.41395665
• Heavy Atom Count: 53
• Complexity: 1350

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)C)C)C)OC1
• Isomeric SMILES: C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4CC[C@@H]6[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)CO)O)O)O)O)O)C)C)C)OC1

Technology Process of Spirostan-12-one, 3-((4-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy)-, (3-beta,5-alpha,25R)-

There total 3 articles about Spirostan-12-one, 3-((4-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy)-, (3-beta,5-alpha,25R)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

Chloromaloside A (133024-11-0) → Neohecogenin 3-O-β-D-glucopyranosyl(1->4)-β-D-galactopyranoside (56857-66-0,133024-12-1,134956-11-9,150354-98-6,75216-37-4)

Guidance literature:

With hydrogenchloride; In ethanol; water; for 0.666667h; Heating;

DOI:10.1016/0031-9422(90)85354-I

Reference yield:

Chloromaloside A (133024-11-0) → Neohecogenin 3-O-β-D-glucopyranosyl(1->4)-β-D-galactopyranoside (56857-66-0,133024-12-1,134956-11-9,150354-98-6,75216-37-4) + Neohecogenin 3-O-β-D-glucopyranosyl(1->2)-β-D-glucopyranosyl(1->4)-β-D-galactopyranoside (133024-13-2)

Guidance literature:

With hydrogenchloride; In ethanol; water; for 0.666667h; Heating;

DOI:10.1016/0031-9422(90)85354-I

Reference yield:

Chloromaloside C (132998-89-1) → Neohecogenin 3-O-β-D-glucopyranosyl(1->4)-β-D-galactopyranoside (56857-66-0,133024-12-1,134956-11-9,150354-98-6,75216-37-4) + Neohecogenin 3-O-β-D-glucopyranosyl(1->4)-<α-L-rhamnopyranosyl(1->2)>-β-D-galactopyranoside (133024-14-3) + Neohecogenin 3-O-α-L-arabinopyranosyl(1->2)-β-D-glucopyranosyl(1->4)-<α-L-rhamnopyranosyl(1->2)>-β-D-galactopyranoside + Neohecogenin 3-O-β-D-xylopyranosyl(1->3)-β-D-glucopyranosyl(1->4)-<α-L-rhamnopyranosyl(1->2)>-β-D-galactopyranoside (133024-15-4,135029-86-6)

Guidance literature:

With hydrogenchloride; In ethanol; water; for 3h; Heating;

DOI:10.1016/0031-9422(90)85354-I

upstream raw materials:

Chloromaloside C

Chloromaloside A