Cas no 55659-75-1 (Deltonin)

Deltonin structure
Deltonin structure
Product Name:Deltonin
CAS No:55659-75-1
MF:C45H72O17
MW:885.042996406555
CID:371211
PubChem ID:441884
Update Time:2025-04-19

Deltonin Chemical and Physical Properties

Names and Identifiers

    • LogP
    • Deltonin
    • b-D-Glucopyranoside, (3b,25R)-spirost-5-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1&reg
    • 3-O-beta-D-Glucopyranosyl(1→4)-[alpha-L-rhamnopyranosyl(1→2)]-beta-D-glucopyranoside-diosgenin
    • 39Y54R152I
    • C08894
    • 55659-75-1
    • (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
    • (3beta,25R)-Spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-4))-beta-D-glucopyranoside
    • AKOS040756438
    • CHEMBL2207416
    • MS-31641
    • beta-D-Glucopyranoside, (3beta,25R)-spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-4))-
    • CS-0019612
    • Q27106367
    • 3-O-.BETA.-D-GLUCOPYRANOSYL(1->4)-(.ALPHA.-L-RHAMNOPYRANOSYL(1->2))-.BETA.-D-GLUCOPYRANOSIDE-DIOSGENIN
    • .BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,25R)-SPIROST-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->4))-
    • DTXSID701319158
    • HY-N2283
    • 2-[4-Hydroxy-6-(hydroxymethyl)-2-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
    • CHEBI:4389
    • UNII-39Y54R152I
    • FT-0775737
    • Trilloside A
    • AKOS037515088
    • BETA-D-GLUCOPYRANOSIDE, (3BETA,25R)-SPIROST-5-EN-3-YL O-6-DEOXY-ALPHA-L-MANNOPYRANOSYL-(1->2)-O-(BETA-D-GLUCOPYRANOSYL-(1->4))-
    • (3 beta,25R)-spirost-5-en-3-yl-O-6-deoxy-beta,25R)-spirost-5-en-3-yl-0-6-deoxy-alpha L-mannopyranosyl-(2)-O-(beta D-gluco pyranosyl-(1-4))-beta D-glucopyranoside
    • (2S,3R,4R,5R,6S)-2-((2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-((1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icos-18-ene-6,2'-oxane)-16-yl)oxy-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-3-yl)oxy-6-methyloxane-3,4,5-triol
    • (2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0(2),?.0?,?.0(1)(3),(1)?]icosan]-18'-eneoxy]-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
    • 3-O-BETA-D-GLUCOPYRANOSYL(1->4)-(ALPHA-L-RHAMNOPYRANOSYL(1->2))-BETA-D-GLUCOPYRANOSIDE-DIOSGENIN
    • Inchi: 1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-35(52)33(50)31(48)21(3)56-40)37(54)38(29(17-47)59-42)60-41-36(53)34(51)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,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: OLAMGHNQGZIWHZ-YIKYYZBWSA-N
    • SMILES: O1[C@]2(CC[C@@H](C)CO2)[C@@H](C)[C@H]2[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@@]12C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O

Computed Properties

  • Exact Mass: 884.47695082 g/mol
  • Monoisotopic Mass: 884.47695082 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 17
  • Heavy Atom Count: 62
  • Rotatable Bond Count: 8
  • Complexity: 1620
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 26
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 256
  • Molecular Weight: 885.0
  • XLogP3: 0.8

Experimental Properties

  • Color/Form: Powder
  • Density: 1.42±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 298-300 o C (decomposition)
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.622
  • Solubility: Insuluble (9.7E-4 g/L) (25 oC),

Deltonin Pricemore >>

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