Cas no 142735-55-5 (b-D-Galactopyranoside, (1b,3b,16b,22S)-1-(b-D-glucopyranosyloxy)-3,22-dihydroxycholest-5-en-16-yl(9CI))

b-D-Galactopyranoside, (1b,3b,16b,22S)-1-(b-D-glucopyranosyloxy)-3,22-dihydroxycholest-5-en-16-yl(9CI) structure
142735-55-5 structure
Product Name:b-D-Galactopyranoside, (1b,3b,16b,22S)-1-(b-D-glucopyranosyloxy)-3,22-dihydroxycholest-5-en-16-yl(9CI)
CAS No:142735-55-5
MF:C39H66O14
MW:758.943g/mol
CID:142525
PubChem ID:3072500
Update Time:2024-03-01

b-D-Galactopyranoside, (1b,3b,16b,22S)-1-(b-D-glucopyranosyloxy)-3,22-dihydroxycholest-5-en-16-yl(9CI) Chemical and Physical Properties

Names and Identifiers

    • b-D-Galactopyranoside, (1b,3b,16b,22S)-1-(b-D-glucopyranosyloxy)-3,22-dihydroxycholest-5-en-16-yl(9CI)
    • (2S,3R,4S,5R,6R)-2-[[(10R,13S,16R,17R)-3-hydroxy-17-[(2S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,1
    • Alloside B
    • STL564354
    • CID 139291913
    • DTXSID10931614
    • 16-(Hexopyranosyloxy)-3,22-dihydroxycholest-5-en-1-yl hexopyranoside
    • beta-D-Galactopyranoside, (1-beta,3-beta,16-beta,22S)-1-(beta-D-glucopyranosyloxy)-3,22-dihydroxycholest-5-en-16-yl
    • 142735-55-5
    • Inchi： 1S/C39H66O14/c1-17(2)6-9-24(43)18(3)29-25(50-36-34(48)32(46)30(44)26(15-40)51-36)14-23-21-8-7-19-12-20(42)13-28(39(19,5)22(21)10-11-38(23,29)4)53-37-35(49)33(47)31(45)27(16-41)52-37/h7,17-18,20-37,40-49H,6,8-16H2,1-5H3/t18?,20-,21?,22?,23?,24?,25?,26?,27?,28?,29?,30-,31-,32?,33?,34?,35?,36-,37+,38+,39+/m1/s1
    • InChI Key： JPJDIOVDAAVUNF-NSKMQFRZSA-N
    • SMILES： O([C@H]1C(C([C@@H](C(CO)O1)O)O)O)C1CC2C3CC=C4C[C@H](CC([C@]4(C)C3CC[C@]2(C)C1C(C)C(CCC(C)C)O)O[C@H]1C(C([C@@H](C(CO)O1)O)O)O)O

Computed Properties

  • Exact Mass: 758.445
  • Monoisotopic Mass: 758.445
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 53
  • Rotatable Bond Count: 11
  • Complexity: 1270
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 15
  • Undefined Atom Stereocenter Count : 6
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 239
  • XLogP3: 1.5

Experimental Properties

  • Density: 1.37
  • Boiling Point: 902.2°C at 760 mmHg
  • Flash Point: 499.4°C
  • Refractive Index: 1.61

b-D-Galactopyranoside, (1b,3b,16b,22S)-1-(b-D-glucopyranosyloxy)-3,22-dihydroxycholest-5-en-16-yl(9CI) Related Literature

Related Categories

142735-55-5 (b-D-Galactopyranoside, (1b,3b,16b,22S)-1-(b-D-glucopyranosyloxy)-3,22-dihydroxycholest-5-en-16-yl(9CI)) Related Products

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