(3S,10S,13R,14S,17R)-3,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

Base Information

• Chemical Name: (3S,10S,13R,14S,17R)-3,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
• CAS No.: 510-62-3
• Molecular Formula: C24H30O5
• Molecular Weight: 398.499
• Nikkaji Number: J14.001E
• Wikidata: Q105330708
• Mol file: 510-62-3.mol

Synonyms:510-62-3;SCHEMBL21578392;(3S,10S,13R,14S,17R)-3,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

Chemical Property of (3S,10S,13R,14S,17R)-3,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

Chemical Property:

• Vapor Pressure: 2.04E-17mmHg at 25°C
• Boiling Point: 609.8°C at 760 mmHg
• Flash Point: 210.7°C
• PSA: 87.74000
• Density: 1.3g/cm³
• LogP: 3.34100
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 398.20932405
• Heavy Atom Count: 29
• Complexity: 840

Purity/Quality:

98%min ^*data from raw suppliers

SCILLIGLAUCOSIDIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1(CCC2C4=COC(=O)C=C4)O)CCC5=CC(CCC35C=O)O
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CCC5=C[C@H](CC[C@]35C=O)O

Technology Process of (3S,10S,13R,14S,17R)-3,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

There total 5 articles about (3S,10S,13R,14S,17R)-3,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde 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:

14β-hydroxy-19β-oxobufa-4,20,22-trienolide-3β-O-{α-L-rhamnopyranosyl-[(1→4)-β-D-glucopyranosyl]-(1→3)-α-L-rhamnopyranoside} (1432501-17-1) → L-Rhamnose (3615-41-6,478518-52-4) + D-glucose (50-99-7) + 3β,14β-dihydroxy-19β-oxobufa-4,20,22-trienolide (510-62-3)

Guidance literature:

With hydrogenchloride; water; at 100 ℃; for 4h;

DOI:10.1021/np300900a

Reference yield:

→ Scilliglaucosidin (510-62-3,26611-41-6)

Guidance literature:

Altosid, β-glucosidase-reichen Pilzferment;

DOI:10.1002/hlca.19600430628

Reference yield:

→ 3β,14β-dihydroxy-19β-oxobufa-4,20,22-trienolide (510-62-3)

Guidance literature:

With sulfuric acid;

DOI:10.1002/hlca.19520350737

upstream raw materials:

3β,14,19-trihydroxy-14β-bufa-4,20,22-trienolide

sulfuric acid

scilliglaucoside

14β-hydroxy-19β-oxobufa-4,20,22-trienolide-3β-O-{α-L-rhamnopyranosyl-[(1→4)-β-D-glucopyranosyl]-(1→3)-α-L-rhamnopyranoside}

Downstream raw materials:

3β,14,19-trihydroxy-14β-bufa-4,20,22-trienolide